1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol

C15H33N3O — CID 65449253

IUPAC1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCCCCCN(CC(O)CN1CCNCC1)C(C)C
InChIInChI=1S/C15H33N3O/c1-4-5-6-9-18(14(2)3)13-15(19)12-17-10-7-16-8-11-17/h14-16,19H,4-13H2,1-3H3
InChIKeyAMSMTKJDSJSQGQ-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.15
Rot. Bonds9

About 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol

1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65449253) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65449253
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
SMILESCCCCCN(CC(O)CN1CCNCC1)C(C)C
InChIInChI=1S/C15H33N3O/c1-4-5-6-9-18(14(2)3)13-15(19)12-17-10-7-16-8-11-17/h14-16,19H,4-13H2,1-3H3
InChIKeyAMSMTKJDSJSQGQ-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-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-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-(1,4-diazepan-1-yl)-3-(dibutylamino)propan-2-ol
CID 54773490
7-[3-(didodecylamino)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
CID 11039349
1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561466
1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561467
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450384

Frequently Asked Questions

What is the IUPAC name of 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol (CID 65449253) is 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol is CCCCCN(CC(O)CN1CCNCC1)C(C)C.
What is the InChIKey of 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is AMSMTKJDSJSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-4-5-6-9-18(14(2)3)13-15(19)12-17-10-7-16-8-11-17/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol?
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 271.45 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65449253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).