3-(1-hexylpiperidin-4-yl)indol-1-amine

C19H29N3 — CID 23215958

IUPAC3-(1-hexylpiperidin-4-yl)indol-1-amine
SMILESCCCCCCN1CCC(c2cn(N)c3ccccc23)CC1
InChIInChI=1S/C19H29N3/c1-2-3-4-7-12-21-13-10-16(11-14-21)18-15-22(20)19-9-6-5-8-17(18)19/h5-6,8-9,15-16H,2-4,7,10-14,20H2,1H3
InChIKeyFSHRJARMMQHYTN-UHFFFAOYSA-N
MW299.46 g/mol
LogP4.11
Rot. Bonds6

About 3-(1-hexylpiperidin-4-yl)indol-1-amine

3-(1-hexylpiperidin-4-yl)indol-1-amine (PubChem CID 23215958) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is 3-(1-hexylpiperidin-4-yl)indol-1-amine.

Molecular Properties

Compound Name3-(1-hexylpiperidin-4-yl)indol-1-amine
PubChem CID23215958
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name3-(1-hexylpiperidin-4-yl)indol-1-amine
SMILESCCCCCCN1CCC(c2cn(N)c3ccccc23)CC1
InChIInChI=1S/C19H29N3/c1-2-3-4-7-12-21-13-10-16(11-14-21)18-15-22(20)19-9-6-5-8-17(18)19/h5-6,8-9,15-16H,2-4,7,10-14,20H2,1H3
InChIKeyFSHRJARMMQHYTN-UHFFFAOYSA-N
XLogP4.11
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-hexylpiperidin-4-yl)indol-1-amine 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-(1-hexylpiperidin-4-yl)indol-1-amine?
The IUPAC name of 3-(1-hexylpiperidin-4-yl)indol-1-amine (CID 23215958) is 3-(1-hexylpiperidin-4-yl)indol-1-amine.
What is the SMILES notation for 3-(1-hexylpiperidin-4-yl)indol-1-amine?
The canonical SMILES for 3-(1-hexylpiperidin-4-yl)indol-1-amine is CCCCCCN1CCC(c2cn(N)c3ccccc23)CC1.
What is the InChIKey of 3-(1-hexylpiperidin-4-yl)indol-1-amine?
The InChIKey is FSHRJARMMQHYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-2-3-4-7-12-21-13-10-16(11-14-21)18-15-22(20)19-9-6-5-8-17(18)19/h5-6,8-9,15-16H,2-4,7,10-14,20H2,1H3.
What are the key properties of 3-(1-hexylpiperidin-4-yl)indol-1-amine?
3-(1-hexylpiperidin-4-yl)indol-1-amine has a molecular weight of 299.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hexylpiperidin-4-yl)indol-1-amine is sourced from PubChem (CID 23215958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).