4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol

C9H15N3O — CID 90447923

IUPAC4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol
SMILESOC1(Cc2cn[nH]c2)CCNCC1
InChIInChI=1S/C9H15N3O/c13-9(1-3-10-4-2-9)5-8-6-11-12-7-8/h6-7,10,13H,1-5H2,(H,11,12)
InChIKeyLQGOKZRZSNGKCX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.07
Rot. Bonds2

About 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol

4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol (PubChem CID 90447923) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol
PubChem CID90447923
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol
SMILESOC1(Cc2cn[nH]c2)CCNCC1
InChIInChI=1S/C9H15N3O/c13-9(1-3-10-4-2-9)5-8-6-11-12-7-8/h6-7,10,13H,1-5H2,(H,11,12)
InChIKeyLQGOKZRZSNGKCX-UHFFFAOYSA-N
XLogP0.07
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol?
The IUPAC name of 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol (CID 90447923) is 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol is OC1(Cc2cn[nH]c2)CCNCC1.
What is the InChIKey of 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol?
The InChIKey is LQGOKZRZSNGKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-9(1-3-10-4-2-9)5-8-6-11-12-7-8/h6-7,10,13H,1-5H2,(H,11,12).
What are the key properties of 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol?
4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol has a molecular weight of 181.24 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 90447923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).