2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine

C18H19ClN2 — CID 22017

IUPAC2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine
SMILESCN1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=1S/C18H19ClN2/c1-21-12-9-15(10-13-21)18(17-4-2-3-11-20-17)14-5-7-16(19)8-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyHZNVLDCWAVIXRK-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.26
Rot. Bonds2

About 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine

2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine (PubChem CID 22017) has the molecular formula C18H19ClN2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine
PubChem CID22017
Molecular FormulaC18H19ClN2
Molecular Weight298.82 g/mol
Exact Mass298.12
IUPAC Name2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine
SMILESCN1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1
InChIInChI=1S/C18H19ClN2/c1-21-12-9-15(10-13-21)18(17-4-2-3-11-20-17)14-5-7-16(19)8-6-14/h2-8,11H,9-10,12-13H2,1H3
InChIKeyHZNVLDCWAVIXRK-UHFFFAOYSA-N
XLogP4.26
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine?
The IUPAC name of 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine (CID 22017) is 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine?
The canonical SMILES for 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine is CN1CCC(=C(c2ccc(Cl)cc2)c2ccccn2)CC1.
What is the InChIKey of 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine?
The InChIKey is HZNVLDCWAVIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2/c1-21-12-9-15(10-13-21)18(17-4-2-3-11-20-17)14-5-7-16(19)8-6-14/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine?
2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine has a molecular weight of 298.82 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-(1-methylpiperidin-4-ylidene)methyl]pyridine is sourced from PubChem (CID 22017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).