methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate

C16H23NO2 — CID 78997161

IUPACmethyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C)cccc2C)CC1
InChIInChI=1S/C16H23NO2/c1-12-5-4-6-13(2)15(12)11-17-9-7-14(8-10-17)16(18)19-3/h4-6,14H,7-11H2,1-3H3
InChIKeyAUUJWACNRUKYEV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds3

About methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate

methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate (PubChem CID 78997161) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
PubChem CID78997161
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C)cccc2C)CC1
InChIInChI=1S/C16H23NO2/c1-12-5-4-6-13(2)15(12)11-17-9-7-14(8-10-17)16(18)19-3/h4-6,14H,7-11H2,1-3H3
InChIKeyAUUJWACNRUKYEV-UHFFFAOYSA-N
XLogP2.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(anthracen-9-ylmethyl)piperidine-4-carboxylate
CID 100969336
methyl 1-[[2,6-dimethyl-4-(1-phenylazetidin-3-yl)phenyl]methyl]piperidine-4-carboxylate
CID 166534524
methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
methyl 1-[(3-bromo-2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 106268339
methyl 1-[(2-ethoxyphenyl)methyl]piperidine-4-carboxylate
CID 60670101
methyl 1-[[4-[1-(2,6-dichlorophenyl)azetidin-3-yl]-2-fluoro-6-methylphenyl]methyl]piperidine-4-carboxylate
CID 166534841
methyl 1-(thiophen-3-ylmethyl)piperidine-4-carboxylate
CID 62027274
methyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754561
methyl 1-[(3,4-difluorophenyl)methyl]piperidine-4-carboxylate
CID 78912325
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate (CID 78997161) is methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2c(C)cccc2C)CC1.
What is the InChIKey of methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate?
The InChIKey is AUUJWACNRUKYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-5-4-6-13(2)15(12)11-17-9-7-14(8-10-17)16(18)19-3/h4-6,14H,7-11H2,1-3H3.
What are the key properties of methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate?
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 78997161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).