ethyl 4-phenylpiperidine-3-carboxylate

C14H19NO2 — CID 22238078

IUPACethyl 4-phenylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CNCCC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)13-10-15-9-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3
InChIKeyKKESSUGZTMZMJU-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.94
Rot. Bonds3

About ethyl 4-phenylpiperidine-3-carboxylate

ethyl 4-phenylpiperidine-3-carboxylate (PubChem CID 22238078) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is ethyl 4-phenylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenylpiperidine-3-carboxylate
PubChem CID22238078
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Nameethyl 4-phenylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CNCCC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-2-17-14(16)13-10-15-9-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3
InChIKeyKKESSUGZTMZMJU-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenylpiperidine-3-carboxylate?
The IUPAC name of ethyl 4-phenylpiperidine-3-carboxylate (CID 22238078) is ethyl 4-phenylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-phenylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 4-phenylpiperidine-3-carboxylate is CCOC(=O)C1CNCCC1c1ccccc1.
What is the InChIKey of ethyl 4-phenylpiperidine-3-carboxylate?
The InChIKey is KKESSUGZTMZMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-17-14(16)13-10-15-9-8-12(13)11-6-4-3-5-7-11/h3-7,12-13,15H,2,8-10H2,1H3.
What are the key properties of ethyl 4-phenylpiperidine-3-carboxylate?
ethyl 4-phenylpiperidine-3-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenylpiperidine-3-carboxylate is sourced from PubChem (CID 22238078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).