1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol

C13H23N3O — CID 81115265

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCn1nc(C)cc1CN1CCC(C)(O)CC1
InChIInChI=1S/C13H23N3O/c1-4-16-12(9-11(2)14-16)10-15-7-5-13(3,17)6-8-15/h9,17H,4-8,10H2,1-3H3
InChIKeyVUPKZGAVGQVOGR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.56
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 81115265) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID81115265
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCn1nc(C)cc1CN1CCC(C)(O)CC1
InChIInChI=1S/C13H23N3O/c1-4-16-12(9-11(2)14-16)10-15-7-5-13(3,17)6-8-15/h9,17H,4-8,10H2,1-3H3
InChIKeyVUPKZGAVGQVOGR-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol (CID 81115265) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol is CCn1nc(C)cc1CN1CCC(C)(O)CC1.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is VUPKZGAVGQVOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16-12(9-11(2)14-16)10-15-7-5-13(3,17)6-8-15/h9,17H,4-8,10H2,1-3H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81115265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).