[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol

C13H23N3O — CID 56794342

IUPAC[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol
SMILESCc1cc(C)n(CCN2CCCC(CO)C2)n1
InChIInChI=1S/C13H23N3O/c1-11-8-12(2)16(14-11)7-6-15-5-3-4-13(9-15)10-17/h8,13,17H,3-7,9-10H2,1-2H3
InChIKeyCAYJXGOETSNCSV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.20
Rot. Bonds4

About [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol

[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol (PubChem CID 56794342) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol
PubChem CID56794342
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol
SMILESCc1cc(C)n(CCN2CCCC(CO)C2)n1
InChIInChI=1S/C13H23N3O/c1-11-8-12(2)16(14-11)7-6-15-5-3-4-13(9-15)10-17/h8,13,17H,3-7,9-10H2,1-2H3
InChIKeyCAYJXGOETSNCSV-UHFFFAOYSA-N
XLogP1.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol (CID 56794342) is [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol is Cc1cc(C)n(CCN2CCCC(CO)C2)n1.
What is the InChIKey of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol?
The InChIKey is CAYJXGOETSNCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-8-12(2)16(14-11)7-6-15-5-3-4-13(9-15)10-17/h8,13,17H,3-7,9-10H2,1-2H3.
What are the key properties of [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol?
[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56794342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).