1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol

C15H28N4O — CID 115414847

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)n1ccc(CC(O)CC2CN(C)CCN2C)n1
InChIInChI=1S/C15H28N4O/c1-12(2)19-6-5-13(16-19)9-15(20)10-14-11-17(3)7-8-18(14)4/h5-6,12,14-15,20H,7-11H2,1-4H3
InChIKeyPYXFAVRBWQTWFE-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.00
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol

1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol (PubChem CID 115414847) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
PubChem CID115414847
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)n1ccc(CC(O)CC2CN(C)CCN2C)n1
InChIInChI=1S/C15H28N4O/c1-12(2)19-6-5-13(16-19)9-15(20)10-14-11-17(3)7-8-18(14)4/h5-6,12,14-15,20H,7-11H2,1-4H3
InChIKeyPYXFAVRBWQTWFE-UHFFFAOYSA-N
XLogP1.00
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
[1-(1,4-dimethylpiperazin-2-yl)-3-(1-methylpyrazol-3-yl)propan-2-yl]hydrazine
CID 105260156
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414955
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008451
1-propan-2-yloxy-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 105103444
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol (CID 115414847) is 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol is CC(C)n1ccc(CC(O)CC2CN(C)CCN2C)n1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is PYXFAVRBWQTWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-12(2)19-6-5-13(16-19)9-15(20)10-14-11-17(3)7-8-18(14)4/h5-6,12,14-15,20H,7-11H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol?
1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 280.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 115414847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).