[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate

C14H24N4O2 — CID 174634741

IUPAC[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(Cn2ccc(N)n2)CCNCC1
InChIInChI=1S/C14H24N4O2/c1-13(2,3)12(19)20-14(5-7-16-8-6-14)10-18-9-4-11(15)17-18/h4,9,16H,5-8,10H2,1-3H3,(H2,15,17)
InChIKeyXBHDWYLFMYTSOO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.18
Rot. Bonds3

About [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate

[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate (PubChem CID 174634741) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate
PubChem CID174634741
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1(Cn2ccc(N)n2)CCNCC1
InChIInChI=1S/C14H24N4O2/c1-13(2,3)12(19)20-14(5-7-16-8-6-14)10-18-9-4-11(15)17-18/h4,9,16H,5-8,10H2,1-3H3,(H2,15,17)
InChIKeyXBHDWYLFMYTSOO-UHFFFAOYSA-N
XLogP1.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate (CID 174634741) is [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1(Cn2ccc(N)n2)CCNCC1.
What is the InChIKey of [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
The InChIKey is XBHDWYLFMYTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-13(2,3)12(19)20-14(5-7-16-8-6-14)10-18-9-4-11(15)17-18/h4,9,16H,5-8,10H2,1-3H3,(H2,15,17).
What are the key properties of [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate?
[4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate has a molecular weight of 280.37 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-aminopyrazol-1-yl)methyl]piperidin-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174634741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).