(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride

C21H30ClNO — CID 11653155

IUPAC(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19;/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3;1H/t17-;/m0./s1
InChIKeyYSRBSCDOOOUVDH-LMOVPXPDSA-N
MW347.93 g/mol
LogP5.47
Rot. Bonds6

About (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride

(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride (PubChem CID 11653155) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride
PubChem CID11653155
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19;/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3;1H/t17-;/m0./s1
InChIKeyYSRBSCDOOOUVDH-LMOVPXPDSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.93
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride?
The IUPAC name of (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride (CID 11653155) is (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride.
What is the SMILES notation for (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride?
The canonical SMILES for (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride is COc1ccc2c(CCCCN3CCCC[C@@H]3C)cccc2c1.Cl.
What is the InChIKey of (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride?
The InChIKey is YSRBSCDOOOUVDH-LMOVPXPDSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-17-8-3-5-14-22(17)15-6-4-9-18-10-7-11-19-16-20(23-2)12-13-21(18)19;/h7,10-13,16-17H,3-6,8-9,14-15H2,1-2H3;1H/t17-;/m0./s1.
What are the key properties of (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride?
(2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 11653155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).