3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine

C13H18F2N2O — CID 68754326

IUPAC3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine
SMILESCNC1(c2cccc(OC(F)F)c2)CCCNC1
InChIInChI=1S/C13H18F2N2O/c1-16-13(6-3-7-17-9-13)10-4-2-5-11(8-10)18-12(14)15/h2,4-5,8,12,16-17H,3,6-7,9H2,1H3
InChIKeyYNLCWZUZILBWGO-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.09
Rot. Bonds4

About 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine

3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine (PubChem CID 68754326) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine
PubChem CID68754326
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine
SMILESCNC1(c2cccc(OC(F)F)c2)CCCNC1
InChIInChI=1S/C13H18F2N2O/c1-16-13(6-3-7-17-9-13)10-4-2-5-11(8-10)18-12(14)15/h2,4-5,8,12,16-17H,3,6-7,9H2,1H3
InChIKeyYNLCWZUZILBWGO-UHFFFAOYSA-N
XLogP2.09
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine?
The IUPAC name of 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine (CID 68754326) is 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine is CNC1(c2cccc(OC(F)F)c2)CCCNC1.
What is the InChIKey of 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine?
The InChIKey is YNLCWZUZILBWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-16-13(6-3-7-17-9-13)10-4-2-5-11(8-10)18-12(14)15/h2,4-5,8,12,16-17H,3,6-7,9H2,1H3.
What are the key properties of 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine?
3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine has a molecular weight of 256.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethoxy)phenyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 68754326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).