2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine

C15H23N — CID 106778080

IUPAC2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
SMILESCc1ccc(CC2NCCCC2C)cc1C
InChIInChI=1S/C15H23N/c1-11-6-7-14(9-13(11)3)10-15-12(2)5-4-8-16-15/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3
InChIKeyDTKGZZPEBRGJRH-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.23
Rot. Bonds2

About 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine

2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine (PubChem CID 106778080) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
PubChem CID106778080
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine
SMILESCc1ccc(CC2NCCCC2C)cc1C
InChIInChI=1S/C15H23N/c1-11-6-7-14(9-13(11)3)10-15-12(2)5-4-8-16-15/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3
InChIKeyDTKGZZPEBRGJRH-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(4-propan-2-ylphenyl)methyl]piperidine
CID 106778627
3-methyl-2-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 106778148
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
2-[(3,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81319007
3-[(3,4-dimethylphenyl)methyl]azepan-2-one
CID 113440321
(2S)-2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 58580794
2-(5-ethyl-2-methylphenyl)pyrrolidine
CID 117281634
N-[(3,4-dimethylphenyl)methyl]pyrrolidine-2-carboxamide
CID 82495808
3-fluoro-N-[(3-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 63305065
2-[(3,4-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81015021
4-[(2-bromocyclopentyl)methyl]-1,2-dimethylbenzene
CID 63471978
(3-methylpiperidin-2-yl)methanol
CID 19898861

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine?
The IUPAC name of 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine (CID 106778080) is 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine is Cc1ccc(CC2NCCCC2C)cc1C.
What is the InChIKey of 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine?
The InChIKey is DTKGZZPEBRGJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-6-7-14(9-13(11)3)10-15-12(2)5-4-8-16-15/h6-7,9,12,15-16H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine?
2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 106778080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).