benzyl 4-cyanopiperidine-1-carboxylate

C14H16N2O2 — CID 22028286

IUPACbenzyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H16N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
InChIKeyUGKXZMBTBFELAS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.56
Rot. Bonds2

About benzyl 4-cyanopiperidine-1-carboxylate

benzyl 4-cyanopiperidine-1-carboxylate (PubChem CID 22028286) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzyl 4-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-cyanopiperidine-1-carboxylate
PubChem CID22028286
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namebenzyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H16N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
InChIKeyUGKXZMBTBFELAS-UHFFFAOYSA-N
XLogP2.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-cyanopiperidine-1-carboxylate?
The IUPAC name of benzyl 4-cyanopiperidine-1-carboxylate (CID 22028286) is benzyl 4-cyanopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-cyanopiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-cyanopiperidine-1-carboxylate is N#CC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-cyanopiperidine-1-carboxylate?
The InChIKey is UGKXZMBTBFELAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2.
What are the key properties of benzyl 4-cyanopiperidine-1-carboxylate?
benzyl 4-cyanopiperidine-1-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 22028286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).