methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate

C16H23NO2 — CID 78992339

IUPACmethyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
SMILESCCc1ccc(CN2CCCCC2C(=O)OC)cc1
InChIInChI=1S/C16H23NO2/c1-3-13-7-9-14(10-8-13)12-17-11-5-4-6-15(17)16(18)19-2/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyLOMNXINUAWEBNB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.78
Rot. Bonds4

About methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate

methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate (PubChem CID 78992339) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
PubChem CID78992339
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
SMILESCCc1ccc(CN2CCCCC2C(=O)OC)cc1
InChIInChI=1S/C16H23NO2/c1-3-13-7-9-14(10-8-13)12-17-11-5-4-6-15(17)16(18)19-2/h7-10,15H,3-6,11-12H2,1-2H3
InChIKeyLOMNXINUAWEBNB-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 113219904
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 62028427
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl (2R)-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836498
ethyl 1-[(4-bromophenyl)methyl]piperidine-2-carboxylate
CID 2838481
methyl 1-[(3-methoxycarbonylphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027103
methyl 1-[(3-nitrophenyl)methyl]piperidine-2-carboxylate
CID 115279194

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate (CID 78992339) is methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate is CCc1ccc(CN2CCCCC2C(=O)OC)cc1.
What is the InChIKey of methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate?
The InChIKey is LOMNXINUAWEBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-7-9-14(10-8-13)12-17-11-5-4-6-15(17)16(18)19-2/h7-10,15H,3-6,11-12H2,1-2H3.
What are the key properties of methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate?
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 78992339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).