3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine

C17H19ClN2 — CID 2857375

IUPAC3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
SMILESClc1cccc(CN2CCCCC2c2cccnc2)c1
InChIInChI=1S/C17H19ClN2/c18-16-7-3-5-14(11-16)13-20-10-2-1-8-17(20)15-6-4-9-19-12-15/h3-7,9,11-12,17H,1-2,8,10,13H2
InChIKeyRUQHUOXKNMHQEF-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.46
Rot. Bonds3

About 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine

3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 2857375) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
PubChem CID2857375
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
SMILESClc1cccc(CN2CCCCC2c2cccnc2)c1
InChIInChI=1S/C17H19ClN2/c18-16-7-3-5-14(11-16)13-20-10-2-1-8-17(20)15-6-4-9-19-12-15/h3-7,9,11-12,17H,1-2,8,10,13H2
InChIKeyRUQHUOXKNMHQEF-UHFFFAOYSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine (CID 2857375) is 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine is Clc1cccc(CN2CCCCC2c2cccnc2)c1.
What is the InChIKey of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is RUQHUOXKNMHQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c18-16-7-3-5-14(11-16)13-20-10-2-1-8-17(20)15-6-4-9-19-12-15/h3-7,9,11-12,17H,1-2,8,10,13H2.
What are the key properties of 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine?
3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 286.81 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 2857375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).