N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

C13H16F4N2 — CID 55144195

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C13H16F4N2/c1-19-6-4-10(5-7-19)18-12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3
InChIKeyGOLFDRWJNKKIPA-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.35
Rot. Bonds2

About N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine

N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (PubChem CID 55144195) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
PubChem CID55144195
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C13H16F4N2/c1-19-6-4-10(5-7-19)18-12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3
InChIKeyGOLFDRWJNKKIPA-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine (CID 55144195) is N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is CN1CCC(Nc2cc(C(F)(F)F)ccc2F)CC1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
The InChIKey is GOLFDRWJNKKIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-19-6-4-10(5-7-19)18-12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3.
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine?
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine has a molecular weight of 276.28 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 55144195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).