[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine

C15H21N3 — CID 117171053

IUPAC[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine
SMILESNCc1cccc2[nH]cc(CN3CCCCC3)c12
InChIInChI=1S/C15H21N3/c16-9-12-5-4-6-14-15(12)13(10-17-14)11-18-7-2-1-3-8-18/h4-6,10,17H,1-3,7-9,11,16H2
InChIKeyLJSLPGVIHWGXGD-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.61
Rot. Bonds3

About [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine

[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine (PubChem CID 117171053) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine
PubChem CID117171053
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine
SMILESNCc1cccc2[nH]cc(CN3CCCCC3)c12
InChIInChI=1S/C15H21N3/c16-9-12-5-4-6-14-15(12)13(10-17-14)11-18-7-2-1-3-8-18/h4-6,10,17H,1-3,7-9,11,16H2
InChIKeyLJSLPGVIHWGXGD-UHFFFAOYSA-N
XLogP2.61
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine 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 [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine?
The IUPAC name of [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine (CID 117171053) is [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine.
What is the SMILES notation for [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine?
The canonical SMILES for [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine is NCc1cccc2[nH]cc(CN3CCCCC3)c12.
What is the InChIKey of [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine?
The InChIKey is LJSLPGVIHWGXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-9-12-5-4-6-14-15(12)13(10-17-14)11-18-7-2-1-3-8-18/h4-6,10,17H,1-3,7-9,11,16H2.
What are the key properties of [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine?
[3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(piperidin-1-ylmethyl)-1H-indol-4-yl]methanamine is sourced from PubChem (CID 117171053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).