8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline

C20H26ClN3 — CID 46958258

IUPAC8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline
SMILESClc1cccc2ccc(CN3CCC(N4CCCCC4)CC3)nc12
InChIInChI=1S/C20H26ClN3/c21-19-6-4-5-16-7-8-17(22-20(16)19)15-23-13-9-18(10-14-23)24-11-2-1-3-12-24/h4-8,18H,1-3,9-15H2
InChIKeyCWOYOQHVZKSNFC-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.34
Rot. Bonds3

About 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline

8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline (PubChem CID 46958258) has the molecular formula C20H26ClN3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline
PubChem CID46958258
Molecular FormulaC20H26ClN3
Molecular Weight343.90 g/mol
Exact Mass343.18
IUPAC Name8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline
SMILESClc1cccc2ccc(CN3CCC(N4CCCCC4)CC3)nc12
InChIInChI=1S/C20H26ClN3/c21-19-6-4-5-16-7-8-17(22-20(16)19)15-23-13-9-18(10-14-23)24-11-2-1-3-12-24/h4-8,18H,1-3,9-15H2
InChIKeyCWOYOQHVZKSNFC-UHFFFAOYSA-N
XLogP4.34
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline?
The IUPAC name of 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline (CID 46958258) is 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline is Clc1cccc2ccc(CN3CCC(N4CCCCC4)CC3)nc12.
What is the InChIKey of 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline?
The InChIKey is CWOYOQHVZKSNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3/c21-19-6-4-5-16-7-8-17(22-20(16)19)15-23-13-9-18(10-14-23)24-11-2-1-3-12-24/h4-8,18H,1-3,9-15H2.
What are the key properties of 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline?
8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline has a molecular weight of 343.90 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 46958258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).