4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol

C13H24N4O — CID 107109591

IUPAC4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,18)6-10-16-7-3-11(4-8-16)17-9-5-12(14)15-17/h5,9,11,18H,3-4,6-8,10H2,1-2H3,(H2,14,15)
InChIKeyFHVJJPIQEGMKBW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.26
Rot. Bonds4

About 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol

4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 107109591) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID107109591
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCC(C)(O)CCN1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C13H24N4O/c1-13(2,18)6-10-16-7-3-11(4-8-16)17-9-5-12(14)15-17/h5,9,11,18H,3-4,6-8,10H2,1-2H3,(H2,14,15)
InChIKeyFHVJJPIQEGMKBW-UHFFFAOYSA-N
XLogP1.26
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
1-[1-(2-propan-2-ylsulfonylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109951
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 107109700
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
1-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109728
1-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107110097
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 107110032
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-amine
CID 107109946

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol (CID 107109591) is 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol is CC(C)(O)CCN1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is FHVJJPIQEGMKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,18)6-10-16-7-3-11(4-8-16)17-9-5-12(14)15-17/h5,9,11,18H,3-4,6-8,10H2,1-2H3,(H2,14,15).
What are the key properties of 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol?
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 107109591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).