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

C16H25N — CID 106778627

IUPAC3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(CC2NCCCC2C)cc1
InChIInChI=1S/C16H25N/c1-12(2)15-8-6-14(7-9-15)11-16-13(3)5-4-10-17-16/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyVTATWUFIKTZDQI-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds3

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

3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine (PubChem CID 106778627) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
PubChem CID106778627
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC(C)c1ccc(CC2NCCCC2C)cc1
InChIInChI=1S/C16H25N/c1-12(2)15-8-6-14(7-9-15)11-16-13(3)5-4-10-17-16/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3
InChIKeyVTATWUFIKTZDQI-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
CID 106778080
(3aS,4R,8R,8aS)-4,8-bis[(4-propan-2-ylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 100984890
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778148
5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 81319258
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
1-piperidin-2-yl-2-(4-propan-2-ylphenyl)ethanone
CID 116547889
2-(3-methylpiperidin-2-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 107147526
N,3,3-trimethyl-N-[(3-methylpiperidin-2-yl)methyl]butan-2-amine
CID 107069129
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 64909833
N-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79537133

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine (CID 106778627) is 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine is CC(C)c1ccc(CC2NCCCC2C)cc1.
What is the InChIKey of 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is VTATWUFIKTZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-8-6-14(7-9-15)11-16-13(3)5-4-10-17-16/h6-9,12-13,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 106778627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).