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

C14H25N3O — CID 102959680

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol
SMILESCCC(C)n1ccc(CN2CCC(C)C(O)C2)n1
InChIInChI=1S/C14H25N3O/c1-4-12(3)17-8-6-13(15-17)9-16-7-5-11(2)14(18)10-16/h6,8,11-12,14,18H,4-5,7,9-10H2,1-3H3
InChIKeyIHSWYQVNRLWBQY-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.06
Rot. Bonds4

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

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol (PubChem CID 102959680) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol
PubChem CID102959680
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol
SMILESCCC(C)n1ccc(CN2CCC(C)C(O)C2)n1
InChIInChI=1S/C14H25N3O/c1-4-12(3)17-8-6-13(15-17)9-16-7-5-11(2)14(18)10-16/h6,8,11-12,14,18H,4-5,7,9-10H2,1-3H3
InChIKeyIHSWYQVNRLWBQY-UHFFFAOYSA-N
XLogP2.06
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol (CID 102959680) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol is CCC(C)n1ccc(CN2CCC(C)C(O)C2)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol?
The InChIKey is IHSWYQVNRLWBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12(3)17-8-6-13(15-17)9-16-7-5-11(2)14(18)10-16/h6,8,11-12,14,18H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol has a molecular weight of 251.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102959680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).