1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine

C13H16F4N2 — CID 61228821

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F4N2/c1-18-9-4-6-19(7-5-9)10-2-3-12(14)11(8-10)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3
InChIKeyHDNXJURMBITJHG-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.03
Rot. Bonds2

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine (PubChem CID 61228821) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
PubChem CID61228821
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16F4N2/c1-18-9-4-6-19(7-5-9)10-2-3-12(14)11(8-10)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3
InChIKeyHDNXJURMBITJHG-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine (CID 61228821) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine is CNC1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine?
The InChIKey is HDNXJURMBITJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-18-9-4-6-19(7-5-9)10-2-3-12(14)11(8-10)13(15,16)17/h2-3,8-9,18H,4-7H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine has a molecular weight of 276.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 61228821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).