[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol

C9H15N3O — CID 83915015

IUPAC[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol
SMILESOCC1CCNC(c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3O/c13-6-7-1-2-10-9(3-7)8-4-11-12-5-8/h4-5,7,9-10,13H,1-3,6H2,(H,11,12)
InChIKeyMSAFTOZQNIZPHV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.44
Rot. Bonds2

About [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol

[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol (PubChem CID 83915015) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol
PubChem CID83915015
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol
SMILESOCC1CCNC(c2cn[nH]c2)C1
InChIInChI=1S/C9H15N3O/c13-6-7-1-2-10-9(3-7)8-4-11-12-5-8/h4-5,7,9-10,13H,1-3,6H2,(H,11,12)
InChIKeyMSAFTOZQNIZPHV-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol?
The IUPAC name of [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol (CID 83915015) is [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol?
The canonical SMILES for [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol is OCC1CCNC(c2cn[nH]c2)C1.
What is the InChIKey of [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol?
The InChIKey is MSAFTOZQNIZPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c13-6-7-1-2-10-9(3-7)8-4-11-12-5-8/h4-5,7,9-10,13H,1-3,6H2,(H,11,12).
What are the key properties of [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol?
[2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol has a molecular weight of 181.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrazol-4-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 83915015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).