(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine

C16H25NO — CID 30982048

IUPAC(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
SMILESCOc1cc(C)c(CN2CCCC[C@@H]2C)cc1C
InChIInChI=1S/C16H25NO/c1-12-10-16(18-4)13(2)9-15(12)11-17-8-6-5-7-14(17)3/h9-10,14H,5-8,11H2,1-4H3/t14-/m0/s1
InChIKeyJNOTWIYRYWECKJ-AWEZNQCLSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds3

About (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine

(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine (PubChem CID 30982048) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine.

Molecular Properties

Compound Name(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
PubChem CID30982048
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
SMILESCOc1cc(C)c(CN2CCCC[C@@H]2C)cc1C
InChIInChI=1S/C16H25NO/c1-12-10-16(18-4)13(2)9-15(12)11-17-8-6-5-7-14(17)3/h9-10,14H,5-8,11H2,1-4H3/t14-/m0/s1
InChIKeyJNOTWIYRYWECKJ-AWEZNQCLSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
CID 2846019
(1S,8aS)-1-cyclohexyl-2-[(4-methoxy-2,5-dimethylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1353365
1-[(2-methoxy-4,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 3567372
[(2R)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62734794
[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperidine-2-carboxylic acid
CID 4314119
N-[[4-methoxy-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62017214
4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 62018782
(1R,5S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162629099

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine?
The IUPAC name of (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine (CID 30982048) is (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine.
What is the SMILES notation for (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine?
The canonical SMILES for (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine is COc1cc(C)c(CN2CCCC[C@@H]2C)cc1C.
What is the InChIKey of (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine?
The InChIKey is JNOTWIYRYWECKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-10-16(18-4)13(2)9-15(12)11-17-8-6-5-7-14(17)3/h9-10,14H,5-8,11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine?
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine is sourced from PubChem (CID 30982048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).