1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine

C15H24F3NO — CID 177009548

IUPAC1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine
SMILESCC(C)OCC1(CN2CCC(/C=C/F)CC2)CC1(F)F
InChIInChI=1S/C15H24F3NO/c1-12(2)20-11-14(9-15(14,17)18)10-19-7-4-13(3-6-16)5-8-19/h3,6,12-13H,4-5,7-11H2,1-2H3/b6-3+
InChIKeyOBCJOHLNWBZVBK-ZZXKWVIFSA-N
MW291.36 g/mol
LogP3.63
Rot. Bonds6

About 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine

1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine (PubChem CID 177009548) has the molecular formula C15H24F3NO and a molecular weight of 291.36 g/mol. Its IUPAC name is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine.

Molecular Properties

Compound Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine
PubChem CID177009548
Molecular FormulaC15H24F3NO
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC Name1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine
SMILESCC(C)OCC1(CN2CCC(/C=C/F)CC2)CC1(F)F
InChIInChI=1S/C15H24F3NO/c1-12(2)20-11-14(9-15(14,17)18)10-19-7-4-13(3-6-16)5-8-19/h3,6,12-13H,4-5,7-11H2,1-2H3/b6-3+
InChIKeyOBCJOHLNWBZVBK-ZZXKWVIFSA-N
XLogP3.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine?
The IUPAC name of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine (CID 177009548) is 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine.
What is the SMILES notation for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine?
The canonical SMILES for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine is CC(C)OCC1(CN2CCC(/C=C/F)CC2)CC1(F)F.
What is the InChIKey of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine?
The InChIKey is OBCJOHLNWBZVBK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H24F3NO/c1-12(2)20-11-14(9-15(14,17)18)10-19-7-4-13(3-6-16)5-8-19/h3,6,12-13H,4-5,7-11H2,1-2H3/b6-3+.
What are the key properties of 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine?
1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine has a molecular weight of 291.36 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-[(E)-2-fluoroethenyl]piperidine is sourced from PubChem (CID 177009548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).