ethyl 2-phenylpiperidine-1-carboxylate

C14H19NO2 — CID 12791774

IUPACethyl 2-phenylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)15-11-7-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyMBYLZPGWFBRGRJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.37
Rot. Bonds2

About ethyl 2-phenylpiperidine-1-carboxylate

ethyl 2-phenylpiperidine-1-carboxylate (PubChem CID 12791774) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylpiperidine-1-carboxylate
PubChem CID12791774
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-phenylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCCCC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)15-11-7-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKeyMBYLZPGWFBRGRJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl 2-phenylpyrrolidine-1-carboxylate
CID 61067662
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
7-amino-1-(2-phenylazepan-1-yl)heptan-1-one
CID 119737777
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
benzyl 2-(1-benzylpyridin-1-ium-3-yl)piperidine-1-carboxylate
CID 102054099
benzyl 2-(3-aminophenyl)pyrrolidine-1-carboxylate
CID 84818132
ethyl 3-methyl-2-phenylpyrrolidine-1-carboxylate
CID 165407566
1-(2-phenylpiperidin-1-yl)ethanethione
CID 150861838
ethyl (2R)-2-thiophen-2-ylpyrrolidine-1-carboxylate
CID 95358480
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylpiperidine-1-carboxylate?
The IUPAC name of ethyl 2-phenylpiperidine-1-carboxylate (CID 12791774) is ethyl 2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 2-phenylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 2-phenylpiperidine-1-carboxylate is CCOC(=O)N1CCCCC1c1ccccc1.
What is the InChIKey of ethyl 2-phenylpiperidine-1-carboxylate?
The InChIKey is MBYLZPGWFBRGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)15-11-7-6-10-13(15)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-phenylpiperidine-1-carboxylate?
ethyl 2-phenylpiperidine-1-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 12791774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).