2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine

C19H21ClN2 — CID 54040144

IUPAC2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
SMILESCc1cnc(C=Cc2ccccc2Cl)cc1N1CCCCC1
InChIInChI=1S/C19H21ClN2/c1-15-14-21-17(10-9-16-7-3-4-8-18(16)20)13-19(15)22-11-5-2-6-12-22/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyLLTARGSXXMNRSI-UHFFFAOYSA-N
MW312.84 g/mol
LogP5.20
Rot. Bonds3

About 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine

2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine (PubChem CID 54040144) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
PubChem CID54040144
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine
SMILESCc1cnc(C=Cc2ccccc2Cl)cc1N1CCCCC1
InChIInChI=1S/C19H21ClN2/c1-15-14-21-17(10-9-16-7-3-4-8-18(16)20)13-19(15)22-11-5-2-6-12-22/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3
InChIKeyLLTARGSXXMNRSI-UHFFFAOYSA-N
XLogP5.20
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.84
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine?
The IUPAC name of 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine (CID 54040144) is 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine is Cc1cnc(C=Cc2ccccc2Cl)cc1N1CCCCC1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine?
The InChIKey is LLTARGSXXMNRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-15-14-21-17(10-9-16-7-3-4-8-18(16)20)13-19(15)22-11-5-2-6-12-22/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine?
2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine has a molecular weight of 312.84 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethenyl]-5-methyl-4-piperidin-1-ylpyridine is sourced from PubChem (CID 54040144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).