ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate

C16H23NO2 — CID 2837990

IUPACethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cccc(C)c1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-9-4-5-10-17(15)12-14-8-6-7-13(2)11-14/h6-8,11,15H,3-5,9-10,12H2,1-2H3
InChIKeyZHJZXADIBCJIRW-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.91
Rot. Bonds4

About ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate

ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 2837990) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
PubChem CID2837990
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1cccc(C)c1
InChIInChI=1S/C16H23NO2/c1-3-19-16(18)15-9-4-5-10-17(15)12-14-8-6-7-13(2)11-14/h6-8,11,15H,3-5,9-10,12H2,1-2H3
InChIKeyZHJZXADIBCJIRW-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 791469
ethyl (2R)-1-[(3-fluorophenyl)methyl]piperidine-2-carboxylate
CID 765373
ethyl 1-[(3-carbamoylphenyl)methyl]piperidine-2-carboxylate
CID 115280703
ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
tert-butyl (2R)-1-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylate
CID 80709993
(5-methyl-1,3,4-oxadiazol-2-yl)methyl (2R)-1-[(3-methylphenyl)methyl]piperidine-2-carboxylate
CID 95346514
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
ethyl (2R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-2-carboxylate
CID 40633764
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
ethyl (2R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 792510
(2R)-1-[(3-methylphenyl)methyl]-N-methylsulfonylpiperidine-2-carboxamide
CID 97308396

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate (CID 2837990) is ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1cccc(C)c1.
What is the InChIKey of ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is ZHJZXADIBCJIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-19-16(18)15-9-4-5-10-17(15)12-14-8-6-7-13(2)11-14/h6-8,11,15H,3-5,9-10,12H2,1-2H3.
What are the key properties of ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 2837990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).