ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate

C17H23NO2 — CID 782814

IUPACethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-2-20-17(19)16-10-13-18(14-11-16)12-6-9-15-7-4-3-5-8-15/h3-9,16H,2,10-14H2,1H3/b9-6+
InChIKeyPFUUDRIERFHNOV-RMKNXTFCSA-N
MW273.38 g/mol
LogP2.97
Rot. Bonds5

About ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate

ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate (PubChem CID 782814) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate
PubChem CID782814
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C17H23NO2/c1-2-20-17(19)16-10-13-18(14-11-16)12-6-9-15-7-4-3-5-8-15/h3-9,16H,2,10-14H2,1H3/b9-6+
InChIKeyPFUUDRIERFHNOV-RMKNXTFCSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate (CID 782814) is ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate?
The InChIKey is PFUUDRIERFHNOV-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H23NO2/c1-2-20-17(19)16-10-13-18(14-11-16)12-6-9-15-7-4-3-5-8-15/h3-9,16H,2,10-14H2,1H3/b9-6+.
What are the key properties of ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate?
ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylate is sourced from PubChem (CID 782814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).