1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol

C15H31N3O — CID 55063736

IUPAC1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3O/c1-2-7-16-12-15(19)13-17-8-10-18(11-9-17)14-5-3-4-6-14/h14-16,19H,2-13H2,1H3
InChIKeyAMMDJRLMWDSXDQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds7

About 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol

1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol (PubChem CID 55063736) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
PubChem CID55063736
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3O/c1-2-7-16-12-15(19)13-17-8-10-18(11-9-17)14-5-3-4-6-14/h14-16,19H,2-13H2,1H3
InChIKeyAMMDJRLMWDSXDQ-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-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

1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
CID 43620319
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 61429736
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
1-(2-ethylpiperidin-1-yl)-3-(propylamino)propan-2-ol
CID 43266432
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propylamino)propan-2-ol
CID 114218337
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 107505660
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62448794
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol (CID 55063736) is 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The InChIKey is AMMDJRLMWDSXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-7-16-12-15(19)13-17-8-10-18(11-9-17)14-5-3-4-6-14/h14-16,19H,2-13H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 55063736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).