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

C23H26Cl2N2 — CID 14441402

IUPAC2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
SMILESCc1cnc(CCc2ccc(Cl)c3ccccc23)cc1N1CCCCC1.Cl
InChIInChI=1S/C23H25ClN2.ClH/c1-17-16-25-19(15-23(17)26-13-5-2-6-14-26)11-9-18-10-12-22(24)21-8-4-3-7-20(18)21;/h3-4,7-8,10,12,15-16H,2,5-6,9,11,13-14H2,1H3;1H
InChIKeyHGSXWJOQAGIOIQ-UHFFFAOYSA-N
MW401.38 g/mol
LogP6.39
Rot. Bonds4

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

2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride (PubChem CID 14441402) has the molecular formula C23H26Cl2N2 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
PubChem CID14441402
Molecular FormulaC23H26Cl2N2
Molecular Weight401.38 g/mol
Exact Mass400.15
IUPAC Name2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
SMILESCc1cnc(CCc2ccc(Cl)c3ccccc23)cc1N1CCCCC1.Cl
InChIInChI=1S/C23H25ClN2.ClH/c1-17-16-25-19(15-23(17)26-13-5-2-6-14-26)11-9-18-10-12-22(24)21-8-4-3-7-20(18)21;/h3-4,7-8,10,12,15-16H,2,5-6,9,11,13-14H2,1H3;1H
InChIKeyHGSXWJOQAGIOIQ-UHFFFAOYSA-N
XLogP6.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.38
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
The IUPAC name of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride (CID 14441402) is 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride.
What is the SMILES notation for 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
The canonical SMILES for 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride is Cc1cnc(CCc2ccc(Cl)c3ccccc23)cc1N1CCCCC1.Cl.
What is the InChIKey of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
The InChIKey is HGSXWJOQAGIOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2.ClH/c1-17-16-25-19(15-23(17)26-13-5-2-6-14-26)11-9-18-10-12-22(24)21-8-4-3-7-20(18)21;/h3-4,7-8,10,12,15-16H,2,5-6,9,11,13-14H2,1H3;1H.
What are the key properties of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride?
2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride has a molecular weight of 401.38 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride is sourced from PubChem (CID 14441402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).