3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol

C13H21N3O — CID 78976730

IUPAC3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
SMILESCC(O)C(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11(12(2)17)15-7-9-16(10-8-15)13-5-3-4-6-14-13/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyJXIJLJGYISWSHA-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.97
Rot. Bonds3

About 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol

3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol (PubChem CID 78976730) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
PubChem CID78976730
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
SMILESCC(O)C(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3O/c1-11(12(2)17)15-7-9-16(10-8-15)13-5-3-4-6-14-13/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyJXIJLJGYISWSHA-UHFFFAOYSA-N
XLogP0.97
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 22683858
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
methanamine;1-methyl-4-pyridin-2-ylpiperazine
CID 145148686
1-[(2S)-2-(4-pyridin-2-ylpiperazin-1-yl)propanoyl]imidazolidin-2-one
CID 8619055
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol (CID 78976730) is 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol is CC(O)C(C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
The InChIKey is JXIJLJGYISWSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11(12(2)17)15-7-9-16(10-8-15)13-5-3-4-6-14-13/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol?
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 78976730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).