4-chloro-2-piperidin-3-yl-1H-indole

C13H15ClN2 — CID 82620573

IUPAC4-chloro-2-piperidin-3-yl-1H-indole
SMILESClc1cccc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C13H15ClN2/c14-11-4-1-5-12-10(11)7-13(16-12)9-3-2-6-15-8-9/h1,4-5,7,9,15-16H,2-3,6,8H2
InChIKeyQKRCUNQMTMXLIE-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.29
Rot. Bonds1

About 4-chloro-2-piperidin-3-yl-1H-indole

4-chloro-2-piperidin-3-yl-1H-indole (PubChem CID 82620573) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 4-chloro-2-piperidin-3-yl-1H-indole.

Molecular Properties

Compound Name4-chloro-2-piperidin-3-yl-1H-indole
PubChem CID82620573
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name4-chloro-2-piperidin-3-yl-1H-indole
SMILESClc1cccc2[nH]c(C3CCCNC3)cc12
InChIInChI=1S/C13H15ClN2/c14-11-4-1-5-12-10(11)7-13(16-12)9-3-2-6-15-8-9/h1,4-5,7,9,15-16H,2-3,6,8H2
InChIKeyQKRCUNQMTMXLIE-UHFFFAOYSA-N
XLogP3.29
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-piperidin-3-yl-1H-indole 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 4-chloro-2-piperidin-3-yl-1H-indole?
The IUPAC name of 4-chloro-2-piperidin-3-yl-1H-indole (CID 82620573) is 4-chloro-2-piperidin-3-yl-1H-indole.
What is the SMILES notation for 4-chloro-2-piperidin-3-yl-1H-indole?
The canonical SMILES for 4-chloro-2-piperidin-3-yl-1H-indole is Clc1cccc2[nH]c(C3CCCNC3)cc12.
What is the InChIKey of 4-chloro-2-piperidin-3-yl-1H-indole?
The InChIKey is QKRCUNQMTMXLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-11-4-1-5-12-10(11)7-13(16-12)9-3-2-6-15-8-9/h1,4-5,7,9,15-16H,2-3,6,8H2.
What are the key properties of 4-chloro-2-piperidin-3-yl-1H-indole?
4-chloro-2-piperidin-3-yl-1H-indole has a molecular weight of 234.73 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-piperidin-3-yl-1H-indole is sourced from PubChem (CID 82620573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).