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

C8H13N3O — CID 176967223

IUPAC4-(1H-pyrazol-4-yl)piperidin-4-ol
SMILESOC1(c2cn[nH]c2)CCNCC1
InChIInChI=1S/C8H13N3O/c12-8(1-3-9-4-2-8)7-5-10-11-6-7/h5-6,9,12H,1-4H2,(H,10,11)
InChIKeyNZYOYCOPSNSNDE-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.02
Rot. Bonds1

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

4-(1H-pyrazol-4-yl)piperidin-4-ol (PubChem CID 176967223) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)piperidin-4-ol
PubChem CID176967223
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(1H-pyrazol-4-yl)piperidin-4-ol
SMILESOC1(c2cn[nH]c2)CCNCC1
InChIInChI=1S/C8H13N3O/c12-8(1-3-9-4-2-8)7-5-10-11-6-7/h5-6,9,12H,1-4H2,(H,10,11)
InChIKeyNZYOYCOPSNSNDE-UHFFFAOYSA-N
XLogP-0.02
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.02
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-yl)piperidin-4-ol?
The IUPAC name of 4-(1H-pyrazol-4-yl)piperidin-4-ol (CID 176967223) is 4-(1H-pyrazol-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)piperidin-4-ol?
The canonical SMILES for 4-(1H-pyrazol-4-yl)piperidin-4-ol is OC1(c2cn[nH]c2)CCNCC1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)piperidin-4-ol?
The InChIKey is NZYOYCOPSNSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8(1-3-9-4-2-8)7-5-10-11-6-7/h5-6,9,12H,1-4H2,(H,10,11).
What are the key properties of 4-(1H-pyrazol-4-yl)piperidin-4-ol?
4-(1H-pyrazol-4-yl)piperidin-4-ol has a molecular weight of 167.21 g/mol, XLogP of -0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)piperidin-4-ol is sourced from PubChem (CID 176967223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).