1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol

C15H21N3O — CID 82264006

IUPAC1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
SMILESCC(C(O)c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H21N3O/c1-11(18-8-6-16-7-9-18)15(19)13-10-17-14-5-3-2-4-12(13)14/h2-5,10-11,15-17,19H,6-9H2,1H3
InChIKeyNKHVZWHATVDMCN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.50
Rot. Bonds3

About 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol

1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol (PubChem CID 82264006) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
PubChem CID82264006
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol
SMILESCC(C(O)c1c[nH]c2ccccc12)N1CCNCC1
InChIInChI=1S/C15H21N3O/c1-11(18-8-6-16-7-9-18)15(19)13-10-17-14-5-3-2-4-12(13)14/h2-5,10-11,15-17,19H,6-9H2,1H3
InChIKeyNKHVZWHATVDMCN-UHFFFAOYSA-N
XLogP1.50
TPSA51.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol 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-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171284996
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
3-[(1R)-1-piperazin-1-ylbutyl]-1H-indole
CID 171285016
1-phenyl-2-piperazin-1-ylpropan-1-ol
CID 82264476
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
3-(4-piperazin-1-ylbutan-2-yl)-1H-indole
CID 82300146
3-[(R)-cyclobutyl(piperazin-1-yl)methyl]-1H-indole;dihydrochloride
CID 171285009
3-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]-1H-indole
CID 171302294
3-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]-1H-indole;dihydrochloride
CID 171285012
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol?
The IUPAC name of 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol (CID 82264006) is 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol?
The canonical SMILES for 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol is CC(C(O)c1c[nH]c2ccccc12)N1CCNCC1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol?
The InChIKey is NKHVZWHATVDMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(18-8-6-16-7-9-18)15(19)13-10-17-14-5-3-2-4-12(13)14/h2-5,10-11,15-17,19H,6-9H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol?
1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol has a molecular weight of 259.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-piperazin-1-ylpropan-1-ol is sourced from PubChem (CID 82264006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).