3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol

C16H21N3O — CID 114681410

IUPAC3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CCC1O
InChIInChI=1S/C16H21N3O/c1-13-11-18(10-7-16(13)20)12-14-3-5-15(6-4-14)19-9-2-8-17-19/h2-6,8-9,13,16,20H,7,10-12H2,1H3
InChIKeySUTQDNYWPDEMOF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.08
Rot. Bonds3

About 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol (PubChem CID 114681410) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
PubChem CID114681410
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CCC1O
InChIInChI=1S/C16H21N3O/c1-13-11-18(10-7-16(13)20)12-14-3-5-15(6-4-14)19-9-2-8-17-19/h2-6,8-9,13,16,20H,7,10-12H2,1H3
InChIKeySUTQDNYWPDEMOF-UHFFFAOYSA-N
XLogP2.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-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

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 102784560
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 133127360
2-[4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 105346215
2-[1-[(4-pyrazol-1-ylphenyl)methyl]azetidin-3-yl]propanoic acid
CID 116683944
2-[(2R)-1-cyclohexyl-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 51635497

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol (CID 114681410) is 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol is CC1CN(Cc2ccc(-n3cccn3)cc2)CCC1O.
What is the InChIKey of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol?
The InChIKey is SUTQDNYWPDEMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-11-18(10-7-16(13)20)12-14-3-5-15(6-4-14)19-9-2-8-17-19/h2-6,8-9,13,16,20H,7,10-12H2,1H3.
What are the key properties of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol?
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol has a molecular weight of 271.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 114681410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).