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

C13H23N3O — CID 114502720

IUPAC3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCC1CN(Cc2ccn(C(C)C)n2)CCC1O
InChIInChI=1S/C13H23N3O/c1-10(2)16-7-4-12(14-16)9-15-6-5-13(17)11(3)8-15/h4,7,10-11,13,17H,5-6,8-9H2,1-3H3
InChIKeyGPGDRONBJYJVPK-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.67
Rot. Bonds3

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

3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (PubChem CID 114502720) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
PubChem CID114502720
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
SMILESCC1CN(Cc2ccn(C(C)C)n2)CCC1O
InChIInChI=1S/C13H23N3O/c1-10(2)16-7-4-12(14-16)9-15-6-5-13(17)11(3)8-15/h4,7,10-11,13,17H,5-6,8-9H2,1-3H3
InChIKeyGPGDRONBJYJVPK-UHFFFAOYSA-N
XLogP1.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol (CID 114502720) is 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is CC1CN(Cc2ccn(C(C)C)n2)CCC1O.
What is the InChIKey of 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
The InChIKey is GPGDRONBJYJVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-7-4-12(14-16)9-15-6-5-13(17)11(3)8-15/h4,7,10-11,13,17H,5-6,8-9H2,1-3H3.
What are the key properties of 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol?
3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114502720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).