4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole

C14H17ClN2 — CID 18797474

IUPAC4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole
SMILESCN1CCC(c2cc3c(Cl)cccc3[nH]2)CC1
InChIInChI=1S/C14H17ClN2/c1-17-7-5-10(6-8-17)14-9-11-12(15)3-2-4-13(11)16-14/h2-4,9-10,16H,5-8H2,1H3
InChIKeyVOBLWVIRWGEZOB-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.63
Rot. Bonds1

About 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole

4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole (PubChem CID 18797474) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole
PubChem CID18797474
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole
SMILESCN1CCC(c2cc3c(Cl)cccc3[nH]2)CC1
InChIInChI=1S/C14H17ClN2/c1-17-7-5-10(6-8-17)14-9-11-12(15)3-2-4-13(11)16-14/h2-4,9-10,16H,5-8H2,1H3
InChIKeyVOBLWVIRWGEZOB-UHFFFAOYSA-N
XLogP3.63
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-2-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)-1H-indole?
The IUPAC name of 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole (CID 18797474) is 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole is CN1CCC(c2cc3c(Cl)cccc3[nH]2)CC1.
What is the InChIKey of 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole?
The InChIKey is VOBLWVIRWGEZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c1-17-7-5-10(6-8-17)14-9-11-12(15)3-2-4-13(11)16-14/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole?
4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole has a molecular weight of 248.76 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 18797474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).