ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

C16H23NO2 — CID 56753093

IUPACethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCNC1
InChIInChI=1S/C16H23NO2/c1-3-19-15(18)16(9-6-10-17-12-16)11-14-8-5-4-7-13(14)2/h4-5,7-8,17H,3,6,9-12H2,1-2H3
InChIKeyCFBVVSFZDAGUDB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds4

About ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (PubChem CID 56753093) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
PubChem CID56753093
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2C)CCCNC1
InChIInChI=1S/C16H23NO2/c1-3-19-15(18)16(9-6-10-17-12-16)11-14-8-5-4-7-13(14)2/h4-5,7-8,17H,3,6,9-12H2,1-2H3
InChIKeyCFBVVSFZDAGUDB-UHFFFAOYSA-N
XLogP2.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 95213169
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
ethyl (3S)-3-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 95207559
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
(2-bromophenyl)methyl 3-ethylpiperidine-3-carboxylate
CID 82824680
ethyl 1-(dimethylsulfamoyl)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 45180150
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(2-oxo-2-phenylacetyl)piperidine-3-carboxylate
CID 26321946
ethyl (3S)-3-(cyclopropylmethyl)piperidine-3-carboxylate
CID 99868054
ethyl 1-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 74496693
ethyl (3S)-1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 42462822
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate (CID 56753093) is ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2C)CCCNC1.
What is the InChIKey of ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
The InChIKey is CFBVVSFZDAGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-15(18)16(9-6-10-17-12-16)11-14-8-5-4-7-13(14)2/h4-5,7-8,17H,3,6,9-12H2,1-2H3.
What are the key properties of ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate?
ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 56753093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).