1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol

C16H20BrN3O — CID 114637897

IUPAC1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
SMILESCn1ncc(Br)c1C1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H20BrN3O/c1-19-15(14(17)10-18-19)16(21)8-5-9-20(12-16)11-13-6-3-2-4-7-13/h2-4,6-7,10,21H,5,8-9,11-12H2,1H3
InChIKeyXAJFJQLOEUZANN-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.67
Rot. Bonds3

About 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol

1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol (PubChem CID 114637897) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
PubChem CID114637897
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
SMILESCn1ncc(Br)c1C1(O)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C16H20BrN3O/c1-19-15(14(17)10-18-19)16(21)8-5-9-20(12-16)11-13-6-3-2-4-7-13/h2-4,6-7,10,21H,5,8-9,11-12H2,1H3
InChIKeyXAJFJQLOEUZANN-UHFFFAOYSA-N
XLogP2.67
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
CID 113341056
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol (CID 114637897) is 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol is Cn1ncc(Br)c1C1(O)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
The InChIKey is XAJFJQLOEUZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-19-15(14(17)10-18-19)16(21)8-5-9-20(12-16)11-13-6-3-2-4-7-13/h2-4,6-7,10,21H,5,8-9,11-12H2,1H3.
What are the key properties of 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol?
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol has a molecular weight of 350.26 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 114637897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).