1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol

C14H26N4O — CID 103008451

IUPAC1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCN1CCN(C)C(CC(O)CCc2ccnn2C)C1
InChIInChI=1S/C14H26N4O/c1-16-8-9-17(2)13(11-16)10-14(19)5-4-12-6-7-15-18(12)3/h6-7,13-14,19H,4-5,8-11H2,1-3H3
InChIKeyZFOQMSJVISOCHS-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.35
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol

1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol (PubChem CID 103008451) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
PubChem CID103008451
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol
SMILESCN1CCN(C)C(CC(O)CCc2ccnn2C)C1
InChIInChI=1S/C14H26N4O/c1-16-8-9-17(2)13(11-16)10-14(19)5-4-12-6-7-15-18(12)3/h6-7,13-14,19H,4-5,8-11H2,1-3H3
InChIKeyZFOQMSJVISOCHS-UHFFFAOYSA-N
XLogP0.35
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008349
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
4-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)butan-2-ol
CID 103008506
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
6-(2-methylpyrazol-3-yl)hexane-1,4-diol
CID 106677975
5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
1-(tert-butylamino)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103017776
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414955

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol (CID 103008451) is 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol is CN1CCN(C)C(CC(O)CCc2ccnn2C)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
The InChIKey is ZFOQMSJVISOCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-16-8-9-17(2)13(11-16)10-14(19)5-4-12-6-7-15-18(12)3/h6-7,13-14,19H,4-5,8-11H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol?
1-(1,4-dimethylpiperazin-2-yl)-4-(2-methylpyrazol-3-yl)butan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 0.35, 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)-4-(2-methylpyrazol-3-yl)butan-2-ol is sourced from PubChem (CID 103008451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).