ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate

C25H30N2O2 — CID 11510165

IUPACethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c1-2-29-24(28)21-14-18-27(19-15-21)17-9-16-25(20-26,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,21H,2,9,14-19H2,1H3
InChIKeyPFAYWWJBJWEALF-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.55
Rot. Bonds8

About ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate

ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate (PubChem CID 11510165) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate
PubChem CID11510165
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Nameethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H30N2O2/c1-2-29-24(28)21-14-18-27(19-15-21)17-9-16-25(20-26,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,21H,2,9,14-19H2,1H3
InChIKeyPFAYWWJBJWEALF-UHFFFAOYSA-N
XLogP4.55
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate (CID 11510165) is ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCCC(C#N)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate?
The InChIKey is PFAYWWJBJWEALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-29-24(28)21-14-18-27(19-15-21)17-9-16-25(20-26,22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-8,10-13,21H,2,9,14-19H2,1H3.
What are the key properties of ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate?
ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate has a molecular weight of 390.53 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-cyano-4,4-diphenylbutyl)piperidine-4-carboxylate is sourced from PubChem (CID 11510165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).