1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride

C22H32ClNO — CID 11631897

IUPAC1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1.Cl
InChIInChI=1S/C22H31NO.ClH/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19;/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3;1H
InChIKeyRYDDKYSKNLTOCC-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.71
Rot. Bonds6

About 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride

1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride (PubChem CID 11631897) 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]-3,3-dimethylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
PubChem CID11631897
Molecular FormulaC22H32ClNO
Molecular Weight361.96 g/mol
Exact Mass361.22
IUPAC Name1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride
SMILESCOc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1.Cl
InChIInChI=1S/C22H31NO.ClH/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19;/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3;1H
InChIKeyRYDDKYSKNLTOCC-UHFFFAOYSA-N
XLogP5.71
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 ≤ 55.71
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 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
The IUPAC name of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride (CID 11631897) is 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride.
What is the SMILES notation for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
The canonical SMILES for 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride is COc1ccc2c(CCCCN3CCCC(C)(C)C3)cccc2c1.Cl.
What is the InChIKey of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
The InChIKey is RYDDKYSKNLTOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO.ClH/c1-22(2)13-7-15-23(17-22)14-5-4-8-18-9-6-10-19-16-20(24-3)11-12-21(18)19;/h6,9-12,16H,4-5,7-8,13-15,17H2,1-3H3;1H.
What are the key properties of 1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride?
1-[4-(6-methoxynaphthalen-1-yl)butyl]-3,3-dimethylpiperidine;hydrochloride has a molecular weight of 361.96 g/mol, XLogP of 5.71, 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]-3,3-dimethylpiperidine;hydrochloride is sourced from PubChem (CID 11631897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).