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

C16H25N — CID 81319258

IUPAC5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC1CCC(Cc2ccc(C(C)C)cc2)NC1
InChIInChI=1S/C16H25N/c1-12(2)15-7-5-14(6-8-15)10-16-9-4-13(3)11-17-16/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyRMXNOKJCLLAXNX-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.74
Rot. Bonds3

About 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine

5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine (PubChem CID 81319258) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
PubChem CID81319258
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
SMILESCC1CCC(Cc2ccc(C(C)C)cc2)NC1
InChIInChI=1S/C16H25N/c1-12(2)15-7-5-14(6-8-15)10-16-9-4-13(3)11-17-16/h5-8,12-13,16-17H,4,9-11H2,1-3H3
InChIKeyRMXNOKJCLLAXNX-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-ethylphenyl)methyl]-5-methylpiperidine
CID 81319513
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[(3,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81319007
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
CID 106779340
3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 106778627
2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
CID 114605657
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81318671
5-methyl-2-(2-phenylethyl)piperidine
CID 81320090
2-methyl-3-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 64909833
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
N-methyl-1-(5-methylpiperidin-2-yl)methanamine
CID 89022533

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
The IUPAC name of 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine (CID 81319258) is 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine.
What is the SMILES notation for 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
The canonical SMILES for 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine is CC1CCC(Cc2ccc(C(C)C)cc2)NC1.
What is the InChIKey of 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
The InChIKey is RMXNOKJCLLAXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(2)15-7-5-14(6-8-15)10-16-9-4-13(3)11-17-16/h5-8,12-13,16-17H,4,9-11H2,1-3H3.
What are the key properties of 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine?
5-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 5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine is sourced from PubChem (CID 81319258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).