N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C15H20F4N2 — CID 43766678

IUPACN-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H20F4N2/c1-11(12-2-4-13(16)5-3-12)20-14-6-8-21(9-7-14)10-15(17,18)19/h2-5,11,14,20H,6-10H2,1H3
InChIKeyXPZFVDIFGYABJY-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.50
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43766678) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43766678
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H20F4N2/c1-11(12-2-4-13(16)5-3-12)20-14-6-8-21(9-7-14)10-15(17,18)19/h2-5,11,14,20H,6-10H2,1H3
InChIKeyXPZFVDIFGYABJY-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 6938115
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43760602
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
(2S)-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 103788940
N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
1-ethyl-N-[1-(4-fluorophenyl)propyl]piperidin-4-amine
CID 54917034
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
N-[(1S)-1-(4-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 81348211

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43766678) is N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(NC1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is XPZFVDIFGYABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-11(12-2-4-13(16)5-3-12)20-14-6-8-21(9-7-14)10-15(17,18)19/h2-5,11,14,20H,6-10H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 304.33 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43766678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).