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

C12H19N3O — CID 61053881

IUPAC2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
SMILESCC(CO)(c1cccnc1)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-12(10-16,11-3-2-4-14-9-11)15-7-5-13-6-8-15/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyYEBBHXLGFYNXET-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.19
Rot. Bonds3

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

2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol (PubChem CID 61053881) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
PubChem CID61053881
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
SMILESCC(CO)(c1cccnc1)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-12(10-16,11-3-2-4-14-9-11)15-7-5-13-6-8-15/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyYEBBHXLGFYNXET-UHFFFAOYSA-N
XLogP0.19
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-2-pyridin-4-ylpropan-1-ol
CID 61047834
2-(4-chlorophenyl)-2-(1,4-diazepan-1-yl)propan-1-ol
CID 61049034
2-(1,4-diazepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 61048628
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylpropan-1-one
CID 82510529
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
2-piperazin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 61054698
2-(1,4-diazepan-1-yl)-2-(3-methylpyrazin-2-yl)propan-1-ol
CID 114080466
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
2-(2,5-dimethylphenyl)-2-piperazin-1-ylpropan-1-ol
CID 61055498
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
tripyridin-3-ylmethanol
CID 177395677

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol (CID 61053881) is 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol is CC(CO)(c1cccnc1)N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol?
The InChIKey is YEBBHXLGFYNXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(10-16,11-3-2-4-14-9-11)15-7-5-13-6-8-15/h2-4,9,13,16H,5-8,10H2,1H3.
What are the key properties of 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol?
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 61053881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).