1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride

C22H32ClNO — CID 11617475

IUPAC1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1.Cl
InChIInChI=1S/C22H31NO.ClH/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19;/h8,10-13,17H,4-7,9,14-16H2,1-3H3;1H
InChIKeyOUYFLHNTFAPYSW-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.86
Rot. Bonds6

About 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride

1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride (PubChem CID 11617475) has the molecular formula C22H32ClNO and a molecular weight of 361.96 g/mol. Its IUPAC name is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
PubChem CID11617475
Molecular FormulaC22H32ClNO
Molecular Weight361.96 g/mol
Exact Mass361.22
IUPAC Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1.Cl
InChIInChI=1S/C22H31NO.ClH/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19;/h8,10-13,17H,4-7,9,14-16H2,1-3H3;1H
InChIKeyOUYFLHNTFAPYSW-UHFFFAOYSA-N
XLogP5.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 55.86
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]-4-methylpiperidine;hydrochloride
CID 11674649
3-(18F)fluoro-1-[3-(6-methoxynaphthalen-1-yl)propyl]-3-methylpiperidine
CID 135033356
1-(3-bromopropyl)-6-methoxynaphthalene
CID 11514645
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
(6-methoxynaphthalen-1-yl)methanethiol
CID 45117105
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062
6-methoxy-1'-[3-(2-methylphenyl)propyl]spiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 46180947
2-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 55161156
N-[2-(7-methoxynaphthalen-1-yl)ethyl]-4-methylpiperazine-1-carboxamide
CID 90670904

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride (CID 11617475) is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride is COc1ccc2c(CCCCN3CCCCC3(C)C)cccc2c1.Cl.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride?
The InChIKey is OUYFLHNTFAPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.ClH/c1-22(2)14-5-7-16-23(22)15-6-4-9-18-10-8-11-19-17-20(24-3)12-13-21(18)19;/h8,10-13,17H,4-7,9,14-16H2,1-3H3;1H.
What are the key properties of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride?
1-[4-(6-methoxynaphthalen-1-yl)butyl]-2,2-dimethylpiperidine;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 5.86, 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]-2,2-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 11617475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).