1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile

C14H16ClFN2O — CID 39382567

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H16ClFN2O/c15-13-9-12(16)1-2-14(13)19-8-7-18-5-3-11(10-17)4-6-18/h1-2,9,11H,3-8H2
InChIKeyYRCHRMYUVBHOQV-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.09
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile

1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile (PubChem CID 39382567) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
PubChem CID39382567
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(CCOc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H16ClFN2O/c15-13-9-12(16)1-2-14(13)19-8-7-18-5-3-11(10-17)4-6-18/h1-2,9,11H,3-8H2
InChIKeyYRCHRMYUVBHOQV-UHFFFAOYSA-N
XLogP3.09
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39364417
2-[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966702
1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39420280
1-[2-(2,4-dimethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359832
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 120966865
[4-[2-(2-chloro-4-fluorophenoxy)ethyl]morpholin-2-yl]methanamine;hydrochloride
CID 120966941
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]methanol
CID 111463147
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
[1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120967322
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
3-[1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 126771219
1-[2-[2-bromo-5-(trifluoromethoxy)phenoxy]ethyl]piperidine-4-carbonitrile
CID 171115466

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile (CID 39382567) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile is N#CC1CCN(CCOc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile?
The InChIKey is YRCHRMYUVBHOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-13-9-12(16)1-2-14(13)19-8-7-18-5-3-11(10-17)4-6-18/h1-2,9,11H,3-8H2.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile has a molecular weight of 282.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]piperidine-4-carbonitrile is sourced from PubChem (CID 39382567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).