2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride

C24H29ClN2O — CID 14441339

IUPAC2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
SMILESCOc1cccc2c(CCc3cc(N4CCCCC4)c(C)cn3)cccc12.Cl
InChIInChI=1S/C24H28N2O.ClH/c1-18-17-25-20(16-23(18)26-14-4-3-5-15-26)13-12-19-8-6-10-22-21(19)9-7-11-24(22)27-2;/h6-11,16-17H,3-5,12-15H2,1-2H3;1H
InChIKeyFSVJRNMMUNMTQH-UHFFFAOYSA-N
MW396.96 g/mol
LogP5.75
Rot. Bonds5

About 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride

2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride (PubChem CID 14441339) has the molecular formula C24H29ClN2O and a molecular weight of 396.96 g/mol. Its IUPAC name is 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
PubChem CID14441339
Molecular FormulaC24H29ClN2O
Molecular Weight396.96 g/mol
Exact Mass396.20
IUPAC Name2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
SMILESCOc1cccc2c(CCc3cc(N4CCCCC4)c(C)cn3)cccc12.Cl
InChIInChI=1S/C24H28N2O.ClH/c1-18-17-25-20(16-23(18)26-14-4-3-5-15-26)13-12-19-8-6-10-22-21(19)9-7-11-24(22)27-2;/h6-11,16-17H,3-5,12-15H2,1-2H3;1H
InChIKeyFSVJRNMMUNMTQH-UHFFFAOYSA-N
XLogP5.75
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.96
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
The IUPAC name of 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride (CID 14441339) is 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride is COc1cccc2c(CCc3cc(N4CCCCC4)c(C)cn3)cccc12.Cl.
What is the InChIKey of 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
The InChIKey is FSVJRNMMUNMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O.ClH/c1-18-17-25-20(16-23(18)26-14-4-3-5-15-26)13-12-19-8-6-10-22-21(19)9-7-11-24(22)27-2;/h6-11,16-17H,3-5,12-15H2,1-2H3;1H.
What are the key properties of 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride has a molecular weight of 396.96 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 14441339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).