3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol

C13H23N3O — CID 114451905

IUPAC3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCCC(C)n1ccc(CC2CNCCC2O)n1
InChIInChI=1S/C13H23N3O/c1-3-10(2)16-7-5-12(15-16)8-11-9-14-6-4-13(11)17/h5,7,10-11,13-14,17H,3-4,6,8-9H2,1-2H3
InChIKeyFCHDXXDQRZKULF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.37
Rot. Bonds4

About 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol

3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (PubChem CID 114451905) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
PubChem CID114451905
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCCC(C)n1ccc(CC2CNCCC2O)n1
InChIInChI=1S/C13H23N3O/c1-3-10(2)16-7-5-12(15-16)8-11-9-14-6-4-13(11)17/h5,7,10-11,13-14,17H,3-4,6,8-9H2,1-2H3
InChIKeyFCHDXXDQRZKULF-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (CID 114451905) is 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is CCC(C)n1ccc(CC2CNCCC2O)n1.
What is the InChIKey of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is FCHDXXDQRZKULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-10(2)16-7-5-12(15-16)8-11-9-14-6-4-13(11)17/h5,7,10-11,13-14,17H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114451905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).