3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile

C15H16F2N2 — CID 170995643

IUPAC3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC(F)(F)C2)c(C2CC2)c1
InChIInChI=1S/C15H16F2N2/c16-15(17)6-1-7-19(10-15)14-5-2-11(9-18)8-13(14)12-3-4-12/h2,5,8,12H,1,3-4,6-7,10H2
InChIKeyWOLORBDWUCJNNC-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.67
Rot. Bonds2

About 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile

3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile (PubChem CID 170995643) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile
PubChem CID170995643
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CCCC(F)(F)C2)c(C2CC2)c1
InChIInChI=1S/C15H16F2N2/c16-15(17)6-1-7-19(10-15)14-5-2-11(9-18)8-13(14)12-3-4-12/h2,5,8,12H,1,3-4,6-7,10H2
InChIKeyWOLORBDWUCJNNC-UHFFFAOYSA-N
XLogP3.67
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[5-cyano-2-(3,3-difluoropiperidin-1-yl)phenyl]sulfamoyl]-4-cyclopropylbenzoate
CID 150484718
4-(3,3-difluoropyrrolidin-1-yl)-3-(trifluoromethyl)benzonitrile
CID 139600931
4-cyclopropyl-3-piperazin-1-ylbenzonitrile
CID 171630505
1-[2-ethynyl-4-(trifluoromethyl)phenyl]-3,3-difluoropiperidine
CID 169489315
3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410
3-fluoro-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]benzonitrile
CID 11667853
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzoic acid
CID 138986330
4-(3,3-difluoropiperidin-1-yl)-3-fluorobenzaldehyde
CID 86810596
3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile
CID 168908239
4-(3,3-difluoroazetidin-1-yl)benzonitrile
CID 105447827
3-bromo-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 79018528

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile?
The IUPAC name of 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile (CID 170995643) is 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile.
What is the SMILES notation for 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile?
The canonical SMILES for 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile is N#Cc1ccc(N2CCCC(F)(F)C2)c(C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile?
The InChIKey is WOLORBDWUCJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c16-15(17)6-1-7-19(10-15)14-5-2-11(9-18)8-13(14)12-3-4-12/h2,5,8,12H,1,3-4,6-7,10H2.
What are the key properties of 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile?
3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile has a molecular weight of 262.30 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(3,3-difluoropiperidin-1-yl)benzonitrile is sourced from PubChem (CID 170995643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).