3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole

C15H19ClN2 — CID 117411537

IUPAC3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
SMILESCn1cc(Cl)c2c(CC3CCCCN3)cccc21
InChIInChI=1S/C15H19ClN2/c1-18-10-13(16)15-11(5-4-7-14(15)18)9-12-6-2-3-8-17-12/h4-5,7,10,12,17H,2-3,6,8-9H2,1H3
InChIKeyWATFYXJPPJUDTP-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.52
Rot. Bonds2

About 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole

3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole (PubChem CID 117411537) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole.

Molecular Properties

Compound Name3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
PubChem CID117411537
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole
SMILESCn1cc(Cl)c2c(CC3CCCCN3)cccc21
InChIInChI=1S/C15H19ClN2/c1-18-10-13(16)15-11(5-4-7-14(15)18)9-12-6-2-3-8-17-12/h4-5,7,10,12,17H,2-3,6,8-9H2,1H3
InChIKeyWATFYXJPPJUDTP-UHFFFAOYSA-N
XLogP3.52
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole with MolForge

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

Launch Full Analysis

Related Compounds

3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indazole
CID 117414218
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
1-methyl-7-(pyrrolidin-2-ylmethyl)indole
CID 82613446
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
N-[(1-methylindol-3-yl)methyl]-1-piperidin-2-ylmethanamine
CID 115209330

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole?
The IUPAC name of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole (CID 117411537) is 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole.
What is the SMILES notation for 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole?
The canonical SMILES for 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole is Cn1cc(Cl)c2c(CC3CCCCN3)cccc21.
What is the InChIKey of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole?
The InChIKey is WATFYXJPPJUDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c1-18-10-13(16)15-11(5-4-7-14(15)18)9-12-6-2-3-8-17-12/h4-5,7,10,12,17H,2-3,6,8-9H2,1H3.
What are the key properties of 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole?
3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole has a molecular weight of 262.78 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-4-(piperidin-2-ylmethyl)indole is sourced from PubChem (CID 117411537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).