ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate

C15H18N2O2 — CID 2779638

IUPACethyl 1-(4-cyanophenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-9-17(10-8-13)14-5-3-12(11-16)4-6-14/h3-6,13H,2,7-10H2,1H3
InChIKeyLIWHXOHASZYDEM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds3

About ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate

ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate (PubChem CID 2779638) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-cyanophenyl)piperidine-4-carboxylate
PubChem CID2779638
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 1-(4-cyanophenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-9-17(10-8-13)14-5-3-12(11-16)4-6-14/h3-6,13H,2,7-10H2,1H3
InChIKeyLIWHXOHASZYDEM-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate (CID 2779638) is ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(C#N)cc2)CC1.
What is the InChIKey of ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate?
The InChIKey is LIWHXOHASZYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-19-15(18)13-7-9-17(10-8-13)14-5-3-12(11-16)4-6-14/h3-6,13H,2,7-10H2,1H3.
What are the key properties of ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate?
ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-cyanophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 2779638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).