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

C20H20N2O2 — CID 11347764

IUPACbenzyl 4-(4-cyanophenyl)piperidine-1-carboxylate
SMILESN#Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N2O2/c21-14-16-6-8-18(9-7-16)19-10-12-22(13-11-19)20(23)24-15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2
InChIKeyCEQGWIBUHHQESH-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.07
Rot. Bonds3

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

benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate (PubChem CID 11347764) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-cyanophenyl)piperidine-1-carboxylate
PubChem CID11347764
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namebenzyl 4-(4-cyanophenyl)piperidine-1-carboxylate
SMILESN#Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1
InChIInChI=1S/C20H20N2O2/c21-14-16-6-8-18(9-7-16)19-10-12-22(13-11-19)20(23)24-15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2
InChIKeyCEQGWIBUHHQESH-UHFFFAOYSA-N
XLogP4.07
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate (CID 11347764) is benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate is N#Cc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2)cc1.
What is the InChIKey of benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
The InChIKey is CEQGWIBUHHQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-14-16-6-8-18(9-7-16)19-10-12-22(13-11-19)20(23)24-15-17-4-2-1-3-5-17/h1-9,19H,10-13,15H2.
What are the key properties of benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate?
benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(4-cyanophenyl)piperidine-1-carboxylate is sourced from PubChem (CID 11347764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).