6-(4-benzylpiperidin-1-yl)-2-chloroquinoline

C21H21ClN2 — CID 25139391

IUPAC6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
SMILESClc1ccc2cc(N3CCC(Cc4ccccc4)CC3)ccc2n1
InChIInChI=1S/C21H21ClN2/c22-21-9-6-18-15-19(7-8-20(18)23-21)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2
InChIKeyRYFQFHKHZCHEQG-UHFFFAOYSA-N
MW336.87 g/mol
LogP5.35
Rot. Bonds3

About 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline

6-(4-benzylpiperidin-1-yl)-2-chloroquinoline (PubChem CID 25139391) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
PubChem CID25139391
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name6-(4-benzylpiperidin-1-yl)-2-chloroquinoline
SMILESClc1ccc2cc(N3CCC(Cc4ccccc4)CC3)ccc2n1
InChIInChI=1S/C21H21ClN2/c22-21-9-6-18-15-19(7-8-20(18)23-21)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2
InChIKeyRYFQFHKHZCHEQG-UHFFFAOYSA-N
XLogP5.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.87
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-benzylpiperidin-1-yl)-2-chloropyridine
CID 102824003
5-(4-benzylpiperidin-1-yl)-3-chloropyridazine
CID 114478453
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-3-amine
CID 115473666
2-(4-benzylpiperidin-1-yl)-6-bromoquinoline
CID 25139392
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
2-(4-benzylpiperidin-1-yl)-6-chloropyridin-4-amine
CID 104918666
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline (CID 25139391) is 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline is Clc1ccc2cc(N3CCC(Cc4ccccc4)CC3)ccc2n1.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline?
The InChIKey is RYFQFHKHZCHEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c22-21-9-6-18-15-19(7-8-20(18)23-21)24-12-10-17(11-13-24)14-16-4-2-1-3-5-16/h1-9,15,17H,10-14H2.
What are the key properties of 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline?
6-(4-benzylpiperidin-1-yl)-2-chloroquinoline has a molecular weight of 336.87 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-2-chloroquinoline is sourced from PubChem (CID 25139391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).