2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile

C13H14F2N2O — CID 126695840

IUPAC2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile
SMILESN#Cc1c(F)cc(OCC2CCNCC2)cc1F
InChIInChI=1S/C13H14F2N2O/c14-12-5-10(6-13(15)11(12)7-16)18-8-9-1-3-17-4-2-9/h5-6,9,17H,1-4,8H2
InChIKeyHUXQXMHPXDTXHV-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.21
Rot. Bonds3

About 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile

2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile (PubChem CID 126695840) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile
PubChem CID126695840
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile
SMILESN#Cc1c(F)cc(OCC2CCNCC2)cc1F
InChIInChI=1S/C13H14F2N2O/c14-12-5-10(6-13(15)11(12)7-16)18-8-9-1-3-17-4-2-9/h5-6,9,17H,1-4,8H2
InChIKeyHUXQXMHPXDTXHV-UHFFFAOYSA-N
XLogP2.21
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,4-difluorophenoxy)methyl]piperidine
CID 17178047
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
2-bromo-5-(piperidin-4-ylmethoxy)benzonitrile
CID 90018451
(4-cyano-3,5-difluorophenyl) 2,6-difluoro-4-[(4-pentylcyclohexyl)methoxy]benzoate
CID 54397868
(4-cyano-3,5-difluorophenyl) 2,6-difluoro-4-[(4-octylcyclohexyl)methoxy]benzoate
CID 70254553
3-fluoro-4-(pyrrolidin-3-ylmethoxy)benzonitrile
CID 62372817
3-(piperidin-4-ylmethoxy)pyrazine-2-carbonitrile
CID 62685373
(4-cyano-3,5-difluorophenyl) N-tert-butyl-N-piperidin-4-ylcarbamate
CID 91283266
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093
3-(piperidin-4-ylmethoxy)aniline
CID 89233329

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile?
The IUPAC name of 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile (CID 126695840) is 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile?
The canonical SMILES for 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile is N#Cc1c(F)cc(OCC2CCNCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile?
The InChIKey is HUXQXMHPXDTXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c14-12-5-10(6-13(15)11(12)7-16)18-8-9-1-3-17-4-2-9/h5-6,9,17H,1-4,8H2.
What are the key properties of 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile?
2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile has a molecular weight of 252.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile is sourced from PubChem (CID 126695840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).