(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride

C16H20ClNO — CID 171194817

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
SMILESCOc1ccc2cc([C@@H]3CCCCN3)ccc2c1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-18-15-8-7-12-10-14(6-5-13(12)11-15)16-4-2-3-9-17-16;/h5-8,10-11,16-17H,2-4,9H2,1H3;1H/t16-;/m0./s1
InChIKeyMWQYKLJSCPYUQR-NTISSMGPSA-N
MW277.80 g/mol
LogP4.08
Rot. Bonds2

About (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride

(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride (PubChem CID 171194817) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
PubChem CID171194817
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
SMILESCOc1ccc2cc([C@@H]3CCCCN3)ccc2c1.Cl
InChIInChI=1S/C16H19NO.ClH/c1-18-15-8-7-12-10-14(6-5-13(12)11-15)16-4-2-3-9-17-16;/h5-8,10-11,16-17H,2-4,9H2,1H3;1H/t16-;/m0./s1
InChIKeyMWQYKLJSCPYUQR-NTISSMGPSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride (CID 171194817) is (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride is COc1ccc2cc([C@@H]3CCCCN3)ccc2c1.Cl.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride?
The InChIKey is MWQYKLJSCPYUQR-NTISSMGPSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-18-15-8-7-12-10-14(6-5-13(12)11-15)16-4-2-3-9-17-16;/h5-8,10-11,16-17H,2-4,9H2,1H3;1H/t16-;/m0./s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride?
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride is sourced from PubChem (CID 171194817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).