1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol

C11H20N4O — CID 28965228

IUPAC1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol
SMILESCc1nn(C)c(N2CCC(O)CC2)c1CN
InChIInChI=1S/C11H20N4O/c1-8-10(7-12)11(14(2)13-8)15-5-3-9(16)4-6-15/h9,16H,3-7,12H2,1-2H3
InChIKeyJBUQHOJOKHVKPS-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.15
Rot. Bonds2

About 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol

1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol (PubChem CID 28965228) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol
PubChem CID28965228
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol
SMILESCc1nn(C)c(N2CCC(O)CC2)c1CN
InChIInChI=1S/C11H20N4O/c1-8-10(7-12)11(14(2)13-8)15-5-3-9(16)4-6-15/h9,16H,3-7,12H2,1-2H3
InChIKeyJBUQHOJOKHVKPS-UHFFFAOYSA-N
XLogP0.15
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol (CID 28965228) is 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol is Cc1nn(C)c(N2CCC(O)CC2)c1CN.
What is the InChIKey of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol?
The InChIKey is JBUQHOJOKHVKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-10(7-12)11(14(2)13-8)15-5-3-9(16)4-6-15/h9,16H,3-7,12H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol?
1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol has a molecular weight of 224.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 28965228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).