benzyl 2-cyano-5-fluoropiperidine-1-carboxylate

C14H15FN2O2 — CID 83855025

IUPACbenzyl 2-cyano-5-fluoropiperidine-1-carboxylate
SMILESN#CC1CCC(F)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15FN2O2/c15-12-6-7-13(8-16)17(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-7,9-10H2
InChIKeyBLJGFCHCVOBHSC-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.65
Rot. Bonds2

About benzyl 2-cyano-5-fluoropiperidine-1-carboxylate

benzyl 2-cyano-5-fluoropiperidine-1-carboxylate (PubChem CID 83855025) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is benzyl 2-cyano-5-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-cyano-5-fluoropiperidine-1-carboxylate
PubChem CID83855025
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namebenzyl 2-cyano-5-fluoropiperidine-1-carboxylate
SMILESN#CC1CCC(F)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H15FN2O2/c15-12-6-7-13(8-16)17(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-7,9-10H2
InChIKeyBLJGFCHCVOBHSC-UHFFFAOYSA-N
XLogP2.65
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S)-2-cyanopiperidine-1-carboxylate
CID 27281979
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
benzyl 2-cyano-4,4-difluoropyrrolidine-1-carboxylate
CID 21098167
benzyl (1R,5R)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043320
benzyl (2R)-2-ethynylazetidine-1-carboxylate
CID 157287353
benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 140925152
benzyl 4-cyano-2-methylpiperidine-1-carboxylate
CID 22248395
benzyl (1S,4S,5S)-4-fluoro-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 70017837
benzyl (6S)-3-fluoro-6-(phenylmethoxycarbonylamino)azepane-1-carboxylate
CID 155622687
benzyl (2S)-2-ethynylpyrrolidine-1-carboxylate
CID 101484973
benzyl (1S,4S,5S,6S)-5-fluoro-6-methyl-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 134934618
benzyl (3S)-3-cyano-4-oxopyrrolidine-1-carboxylate
CID 95165345

Frequently Asked Questions

What is the IUPAC name of benzyl 2-cyano-5-fluoropiperidine-1-carboxylate?
The IUPAC name of benzyl 2-cyano-5-fluoropiperidine-1-carboxylate (CID 83855025) is benzyl 2-cyano-5-fluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-cyano-5-fluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-cyano-5-fluoropiperidine-1-carboxylate is N#CC1CCC(F)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-cyano-5-fluoropiperidine-1-carboxylate?
The InChIKey is BLJGFCHCVOBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-12-6-7-13(8-16)17(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12-13H,6-7,9-10H2.
What are the key properties of benzyl 2-cyano-5-fluoropiperidine-1-carboxylate?
benzyl 2-cyano-5-fluoropiperidine-1-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-cyano-5-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 83855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).