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

C21H30ClNO — CID 11674649

IUPAC1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3;1H
InChIKeyAVNWMQBDLHCHGQ-UHFFFAOYSA-N
MW347.93 g/mol
LogP5.32
Rot. Bonds6

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

1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride (PubChem CID 11674649) has the molecular formula C21H30ClNO and a molecular weight of 347.93 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
PubChem CID11674649
Molecular FormulaC21H30ClNO
Molecular Weight347.93 g/mol
Exact Mass347.20
IUPAC Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1.Cl
InChIInChI=1S/C21H29NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3;1H
InChIKeyAVNWMQBDLHCHGQ-UHFFFAOYSA-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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Related Compounds

1-[4-(6-methoxynaphthalen-1-yl)butyl]-4,4-dimethylpiperidine
CID 11493574
1-[3-(6-methoxynaphthalen-1-yl)propyl]-3,3-dimethylpiperidine
CID 11573193
1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
CID 11617475
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
1-[6-(3-methoxyphenoxy)hexyl]-4-methylpiperidine
CID 11836207
3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
CID 135033356
1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
CID 170863973
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
4-methyl-1-(4-naphthalen-2-yloxybutyl)piperidine;oxalic acid
CID 2888640
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride (CID 11674649) is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride is COc1ccc2c(CCCCN3CCC(C)CC3)cccc2c1.Cl.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
The InChIKey is AVNWMQBDLHCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO.ClH/c1-17-11-14-22(15-12-17)13-4-3-6-18-7-5-8-19-16-20(23-2)9-10-21(18)19;/h5,7-10,16-17H,3-4,6,11-15H2,1-2H3;1H.
What are the key properties of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride?
1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-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 1-[4-(6-methoxynaphthalen-1-yl)butyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 11674649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).