1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol

C14H32N4O — CID 65448308

IUPAC1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
SMILESCCCN(CCN(C)C)CC(O)CN1CCNCC1
InChIInChI=1S/C14H32N4O/c1-4-7-17(11-10-16(2)3)12-14(19)13-18-8-5-15-6-9-18/h14-15,19H,4-13H2,1-3H3
InChIKeyYFPIMAKLUUMCMI-UHFFFAOYSA-N
MW272.44 g/mol
LogP-0.47
Rot. Bonds9

About 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol

1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol (PubChem CID 65448308) has the molecular formula C14H32N4O and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
PubChem CID65448308
Molecular FormulaC14H32N4O
Molecular Weight272.44 g/mol
Exact Mass272.26
IUPAC Name1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
SMILESCCCN(CCN(C)C)CC(O)CN1CCNCC1
InChIInChI=1S/C14H32N4O/c1-4-7-17(11-10-16(2)3)12-14(19)13-18-8-5-15-6-9-18/h14-15,19H,4-13H2,1-3H3
InChIKeyYFPIMAKLUUMCMI-UHFFFAOYSA-N
XLogP-0.47
TPSA41.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(dimethylamino)ethyl-propylamino]-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol (CID 65448308) is 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol is CCCN(CCN(C)C)CC(O)CN1CCNCC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol?
The InChIKey is YFPIMAKLUUMCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O/c1-4-7-17(11-10-16(2)3)12-14(19)13-18-8-5-15-6-9-18/h14-15,19H,4-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol?
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol has a molecular weight of 272.44 g/mol, XLogP of -0.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 65448308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).