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

C14H25N3O — CID 81116268

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCC(C)n1ccc(CN2CCC(C)(O)CC2)n1
InChIInChI=1S/C14H25N3O/c1-4-12(2)17-8-5-13(15-17)11-16-9-6-14(3,18)7-10-16/h5,8,12,18H,4,6-7,9-11H2,1-3H3
InChIKeyCYTLAJMWZWIOQR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.20
Rot. Bonds4

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

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol (PubChem CID 81116268) 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-4-ol.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
PubChem CID81116268
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
SMILESCCC(C)n1ccc(CN2CCC(C)(O)CC2)n1
InChIInChI=1S/C14H25N3O/c1-4-12(2)17-8-5-13(15-17)11-16-9-6-14(3,18)7-10-16/h5,8,12,18H,4,6-7,9-11H2,1-3H3
InChIKeyCYTLAJMWZWIOQR-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 64785002
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-N-ethylpiperidin-4-amine
CID 64801541
(3S)-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrolidin-3-ol
CID 66291137
2-[4-[(1-butan-2-ylpyrazol-3-yl)methyl]piperazin-1-yl]propanoic acid
CID 64785581
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
3-[(3-bromopyrrolidin-1-yl)methyl]-1-butan-2-ylpyrazole
CID 80676536
10-[(1-butan-2-ylpyrazol-3-yl)methyl]-6,10-diazaspiro[4.6]undecane
CID 64872276
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
3-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1-butan-2-ylpyrazole
CID 80691044
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethyloxan-4-ol
CID 64783123

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol (CID 81116268) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol is CCC(C)n1ccc(CN2CCC(C)(O)CC2)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
The InChIKey is CYTLAJMWZWIOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-12(2)17-8-5-13(15-17)11-16-9-6-14(3,18)7-10-16/h5,8,12,18H,4,6-7,9-11H2,1-3H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol has a molecular weight of 251.37 g/mol, XLogP of 2.20, 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-4-ol is sourced from PubChem (CID 81116268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).