R9V

(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol

Created:	2020-02-10
Last modified:	2020-06-03

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4 entries where R9V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	3
Bond Count	37
Aromatic Bond Count	6

2D diagram of R9V

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Chemical Component Summary
Name	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
Systematic Name (OpenEye OEToolkits)	(1~{R},5~{S})-8-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
Formula	C₁₄ H₁₉ N O
Molecular Weight	217.307
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccccc1CN3C2CC(CC3CC2)O
SMILES	CACTVS	3.385	O[CH]1C[CH]2CC[CH](C1)N2Cc3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CN2C3CCC2CC(C3)O
Canonical SMILES	CACTVS	3.385	O[C@H]1C[C@H]2CC[C@@H](C1)N2Cc3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C3)O
InChI	InChI	1.03	InChI=1S/C14H19NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14+
InChIKey	InChI	1.03	HCBGIBWAPOFRKI-WDNDVIMCSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.