3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine

C16H25N — CID 58659547

IUPAC3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC1CCCN(Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H25N/c1-13(2)16-8-6-15(7-9-16)12-17-10-4-5-14(3)11-17/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyNJBMZLXETYGMDH-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.04
Rot. Bonds3

About 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine

3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine (PubChem CID 58659547) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
PubChem CID58659547
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC1CCCN(Cc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C16H25N/c1-13(2)16-8-6-15(7-9-16)12-17-10-4-5-14(3)11-17/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyNJBMZLXETYGMDH-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine 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-[[(3S)-3-methylpiperidin-1-yl]methyl]aniline
CID 28720719
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-N-propan-2-ylpropan-1-amine
CID 105346519
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587
1-benzyl-3-methylpiperidine
CID 2794856
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
(3R)-1-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 40647229
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
4-[(3-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43885844

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine (CID 58659547) is 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine is CC1CCCN(Cc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is NJBMZLXETYGMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-13(2)16-8-6-15(7-9-16)12-17-10-4-5-14(3)11-17/h6-9,13-14H,4-5,10-12H2,1-3H3.
What are the key properties of 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine?
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 58659547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).