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

C16H22N4 — CID 79868378

IUPAC3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CCC1N
InChIInChI=1S/C16H22N4/c1-13-11-19(10-7-16(13)17)12-14-3-5-15(6-4-14)20-9-2-8-18-20/h2-6,8-9,13,16H,7,10-12,17H2,1H3
InChIKeyVAYJIXUZZNIRIE-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.04
Rot. Bonds3

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

3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine (PubChem CID 79868378) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
PubChem CID79868378
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
SMILESCC1CN(Cc2ccc(-n3cccn3)cc2)CCC1N
InChIInChI=1S/C16H22N4/c1-13-11-19(10-7-16(13)17)12-14-3-5-15(6-4-14)20-9-2-8-18-20/h2-6,8-9,13,16H,7,10-12,17H2,1H3
InChIKeyVAYJIXUZZNIRIE-UHFFFAOYSA-N
XLogP2.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 103576557
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-ol
CID 114681410
1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917477
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
3-imidazol-1-yl-4-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine
CID 75438067
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carbaldehyde
CID 62660628
1-[4-[(4-pyrazol-1-ylphenyl)methyl]morpholin-2-yl]ethanamine
CID 81497211
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 102784560
(3R,4R)-4-(4-methylpiperazin-1-yl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 133127360
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine (CID 79868378) is 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine is CC1CN(Cc2ccc(-n3cccn3)cc2)CCC1N.
What is the InChIKey of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine?
The InChIKey is VAYJIXUZZNIRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-11-19(10-7-16(13)17)12-14-3-5-15(6-4-14)20-9-2-8-18-20/h2-6,8-9,13,16H,7,10-12,17H2,1H3.
What are the key properties of 3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine?
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.04, 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-amine is sourced from PubChem (CID 79868378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).