3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol

C12H19N3O — CID 117246514

IUPAC3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol
SMILESOCC(CN1CCNCC1)c1ccncc1
InChIInChI=1S/C12H19N3O/c16-10-12(11-1-3-13-4-2-11)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-10H2
InChIKeyHVTSZENOKSRDBF-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.06
Rot. Bonds4

About 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol

3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol (PubChem CID 117246514) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol
PubChem CID117246514
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol
SMILESOCC(CN1CCNCC1)c1ccncc1
InChIInChI=1S/C12H19N3O/c16-10-12(11-1-3-13-4-2-11)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-10H2
InChIKeyHVTSZENOKSRDBF-UHFFFAOYSA-N
XLogP0.06
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-piperazin-1-yl-2-pyridin-4-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-piperazin-1-yl-2-pyridin-4-ylpropan-1-amine
CID 117246513
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433
2-methyl-3-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116946629
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
3-(4-methylpiperazin-1-yl)-2-pyridin-4-ylpropan-1-amine
CID 82107783
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
1-(1-pyridin-4-ylpropyl)-1,4-diazepane
CID 3349010
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
1-[(1S)-3,3,3-trifluoro-1-pyridin-4-ylpropyl]piperazine;dihydrochloride
CID 171302429
1-piperazin-1-yl-3-(3-pyridin-4-ylpropoxy)propan-2-ol
CID 65447571
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol (CID 117246514) is 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol is OCC(CN1CCNCC1)c1ccncc1.
What is the InChIKey of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol?
The InChIKey is HVTSZENOKSRDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c16-10-12(11-1-3-13-4-2-11)9-15-7-5-14-6-8-15/h1-4,12,14,16H,5-10H2.
What are the key properties of 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol?
3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 117246514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).