2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine

C15H20F4N2 — CID 107303791

IUPAC2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H20F4N2/c1-20-8-7-12-4-2-3-9-21(12)14-6-5-11(10-13(14)16)15(17,18)19/h5-6,10,12,20H,2-4,7-9H2,1H3
InChIKeyDKBQDHHUGKEPLU-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.81
Rot. Bonds4

About 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine

2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine (PubChem CID 107303791) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
PubChem CID107303791
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
SMILESCNCCC1CCCCN1c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C15H20F4N2/c1-20-8-7-12-4-2-3-9-21(12)14-6-5-11(10-13(14)16)15(17,18)19/h5-6,10,12,20H,2-4,7-9H2,1H3
InChIKeyDKBQDHHUGKEPLU-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidine
CID 107304128
2-(3-chloropropyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidine
CID 107304083
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine
CID 65484017
2-fluoro-6-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzamide
CID 79523125
2-[1-(4-fluoro-5-methyl-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 103594189
3-bromo-4-[2-[2-(methylamino)ethyl]piperidin-1-yl]benzonitrile
CID 82810078
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115316994
3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 63253463
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
2-[1-(5-chloro-2-nitrophenyl)piperidin-2-yl]-N-methylethanamine
CID 115471874
2-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpyrrolidine
CID 107304175
2-(3-bromopropyl)-1-[2-bromo-4-(trifluoromethyl)phenyl]pyrrolidine
CID 115512327

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine (CID 107303791) is 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine is CNCCC1CCCCN1c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
The InChIKey is DKBQDHHUGKEPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-20-8-7-12-4-2-3-9-21(12)14-6-5-11(10-13(14)16)15(17,18)19/h5-6,10,12,20H,2-4,7-9H2,1H3.
What are the key properties of 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine?
2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine has a molecular weight of 304.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-4-(trifluoromethyl)phenyl]piperidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 107303791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).