(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride

C21H30ClNO — CID 11493998

IUPAC(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19;/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3;1H/t17-;/m1./s1
InChIKeyYFLXATJUWJQEAU-UNTBIKODSA-N
MW347.93 g/mol
LogP5.32
Rot. Bonds6

About (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride

(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride (PubChem CID 11493998) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride
PubChem CID11493998
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19;/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3;1H/t17-;/m1./s1
InChIKeyYFLXATJUWJQEAU-UNTBIKODSA-N
XLogP5.32
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 ≤ 55.32
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 (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride?
The IUPAC name of (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride (CID 11493998) is (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride.
What is the SMILES notation for (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride?
The canonical SMILES for (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride is COc1ccc2c(CCCCN3CCC[C@@H](C)C3)cccc2c1.Cl.
What is the InChIKey of (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride?
The InChIKey is YFLXATJUWJQEAU-UNTBIKODSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-17-7-6-14-22(16-17)13-4-3-8-18-9-5-10-19-15-20(23-2)11-12-21(18)19;/h5,9-12,15,17H,3-4,6-8,13-14,16H2,1-2H3;1H/t17-;/m1./s1.
What are the key properties of (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride?
(3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(6-methoxynaphthalen-1-yl)butyl]-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 11493998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).