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

C23H25ClN2 — CID 14441401

IUPAC2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine
SMILESCc1cnc(CCc2ccc(Cl)c3ccccc23)cc1N1CCCCC1
InChIInChI=1S/C23H25ClN2/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
InChIKeyRQBJMGDOEGWGTA-UHFFFAOYSA-N
MW364.92 g/mol
LogP5.97
Rot. Bonds4

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

2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine (PubChem CID 14441401) has the molecular formula C23H25ClN2 and a molecular weight of 364.92 g/mol. Its IUPAC name is 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine
PubChem CID14441401
Molecular FormulaC23H25ClN2
Molecular Weight364.92 g/mol
Exact Mass364.17
IUPAC Name2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine
SMILESCc1cnc(CCc2ccc(Cl)c3ccccc23)cc1N1CCCCC1
InChIInChI=1S/C23H25ClN2/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
InChIKeyRQBJMGDOEGWGTA-UHFFFAOYSA-N
XLogP5.97
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
CID 14441402
2-[2-(5-methoxynaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine;hydrochloride
CID 14441339
5-methyl-2-(3-naphthalen-1-ylpropyl)-4-piperidin-1-ylpyridine;hydrochloride
CID 14441412
5-methyl-2-(2-naphthalen-2-ylethyl)-4-piperidin-1-ylpyridine
CID 14501346
5-methyl-2-(2-naphthalen-2-ylethyl)-4-piperidin-1-ylpyridine;hydrochloride
CID 14501347
5-methyl-4-(3-methylpiperidin-1-yl)-2-(2-naphthalen-1-ylethyl)pyridine;hydrochloride
CID 14441370
2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
CID 54040144
1-[5-methyl-2-(2-naphthalen-1-ylethenyl)-4-pyridinyl]azepane;hydrochloride
CID 70379048
2-[(Z)-2-(2,3-dichlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
CID 14441317
5-methyl-2-[(Z)-2-naphthalen-1-ylethenyl]-4-pyrrolidin-1-ylpyridine;hydrochloride
CID 14441254
5-methyl-2-[2-(4-methylnaphthalen-1-yl)ethenyl]-4-piperidin-1-ylpyridine;hydrochloride
CID 70379031
2-[2-(2-pyrrolidin-1-ylphenyl)ethyl]pyridine
CID 168512294

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine?
The IUPAC name of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine (CID 14441401) is 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine.
What is the SMILES notation for 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine?
The canonical SMILES for 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine is Cc1cnc(CCc2ccc(Cl)c3ccccc23)cc1N1CCCCC1.
What is the InChIKey of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine?
The InChIKey is RQBJMGDOEGWGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2/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.
What are the key properties of 2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine?
2-[2-(4-chloronaphthalen-1-yl)ethyl]-5-methyl-4-piperidin-1-ylpyridine has a molecular weight of 364.92 g/mol, XLogP of 5.97, 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 is sourced from PubChem (CID 14441401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).