2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine

C17H25N — CID 114605657

IUPAC2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
SMILESCC1CCC(Cc2cccc(C3CCC3)c2)NC1
InChIInChI=1S/C17H25N/c1-13-8-9-17(18-12-13)11-14-4-2-7-16(10-14)15-5-3-6-15/h2,4,7,10,13,15,17-18H,3,5-6,8-9,11-12H2,1H3
InChIKeyIUURJEWENLWLLB-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.88
Rot. Bonds3

About 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine

2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine (PubChem CID 114605657) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
PubChem CID114605657
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
SMILESCC1CCC(Cc2cccc(C3CCC3)c2)NC1
InChIInChI=1S/C17H25N/c1-13-8-9-17(18-12-13)11-14-4-2-7-16(10-14)15-5-3-6-15/h2,4,7,10,13,15,17-18H,3,5-6,8-9,11-12H2,1H3
InChIKeyIUURJEWENLWLLB-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-cyclobutylphenyl)-5-methylpiperidine
CID 114606010
2-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methylpiperidine
CID 106779340
2-[(3,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81319007
1-methyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]piperidine
CID 116988811
2-[[3-(3,3-dimethylcyclohexyl)phenyl]methyl]pyrrolidine
CID 117431700
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072
5-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 81319258
2-(3-cyclobutylphenyl)ethanamine
CID 83827556
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366374
(3-cycloheptylphenyl)methanol
CID 84672634
(3-cyclohexylphenyl)methanethiol
CID 22000684
1-[2-[3-(4-methylcyclohexyl)phenyl]ethyl]piperazine
CID 117462174

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine?
The IUPAC name of 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine (CID 114605657) is 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine?
The canonical SMILES for 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine is CC1CCC(Cc2cccc(C3CCC3)c2)NC1.
What is the InChIKey of 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine?
The InChIKey is IUURJEWENLWLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-13-8-9-17(18-12-13)11-14-4-2-7-16(10-14)15-5-3-6-15/h2,4,7,10,13,15,17-18H,3,5-6,8-9,11-12H2,1H3.
What are the key properties of 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine?
2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine has a molecular weight of 243.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine is sourced from PubChem (CID 114605657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).