4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol

C12H21N3O — CID 110931810

IUPAC4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol
SMILESOCCCCN1CCCC(n2cccn2)C1
InChIInChI=1S/C12H21N3O/c16-10-2-1-7-14-8-3-5-12(11-14)15-9-4-6-13-15/h4,6,9,12,16H,1-3,5,7-8,10-11H2
InChIKeyJEOQNMDJOZTYSV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.29
Rot. Bonds5

About 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol

4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol (PubChem CID 110931810) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol
PubChem CID110931810
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol
SMILESOCCCCN1CCCC(n2cccn2)C1
InChIInChI=1S/C12H21N3O/c16-10-2-1-7-14-8-3-5-12(11-14)15-9-4-6-13-15/h4,6,9,12,16H,1-3,5,7-8,10-11H2
InChIKeyJEOQNMDJOZTYSV-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol (CID 110931810) is 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol is OCCCCN1CCCC(n2cccn2)C1.
What is the InChIKey of 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol?
The InChIKey is JEOQNMDJOZTYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-10-2-1-7-14-8-3-5-12(11-14)15-9-4-6-13-15/h4,6,9,12,16H,1-3,5,7-8,10-11H2.
What are the key properties of 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol?
4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 110931810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).