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

C12H19N3O — CID 82286657

IUPAC1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
SMILESCC(O)C(c1cccnc1)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(16)12(11-3-2-4-14-9-11)15-7-5-13-6-8-15/h2-4,9-10,12-13,16H,5-8H2,1H3
InChIKeyUIKSDCMPIZMHLM-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.41
Rot. Bonds3

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

1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol (PubChem CID 82286657) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
PubChem CID82286657
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol
SMILESCC(O)C(c1cccnc1)N1CCNCC1
InChIInChI=1S/C12H19N3O/c1-10(16)12(11-3-2-4-14-9-11)15-7-5-13-6-8-15/h2-4,9-10,12-13,16H,5-8H2,1H3
InChIKeyUIKSDCMPIZMHLM-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2,2-difluoro-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171287666
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-[(1S)-2,2-dimethyl-1-pyridin-3-ylpropyl]piperazine;dihydrochloride
CID 171275055
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
1-[(2R)-2-pyridin-3-ylpropyl]piperazine
CID 67593511
2-hydroxy-1-piperazin-1-yl-2-pyridin-3-ylethanone
CID 82509337
1-[(1S)-1-pyridin-3-ylpentyl]piperazine
CID 171308841
1-piperazin-1-yl-3-pyridin-3-ylbutan-1-one
CID 82510316
1-[(3-chlorophenyl)-pyridin-3-ylmethyl]piperazine
CID 3810529
1-[(R)-cyclopentyl(pyridin-3-yl)methyl]piperazine;dihydrochloride
CID 171287672
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol?
The IUPAC name of 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol (CID 82286657) is 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol is CC(O)C(c1cccnc1)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol?
The InChIKey is UIKSDCMPIZMHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10(16)12(11-3-2-4-14-9-11)15-7-5-13-6-8-15/h2-4,9-10,12-13,16H,5-8H2,1H3.
What are the key properties of 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol?
1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol has a molecular weight of 221.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-1-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 82286657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).