1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C14H19F3N2 — CID 63771038

IUPAC1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNC(CN1CCCC(C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-7-4-8-19(9-12)10-13(18)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,18H2
InChIKeyDIHPNKFPMBNFEL-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.96
Rot. Bonds3

About 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 63771038) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID63771038
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESNC(CN1CCCC(C(F)(F)F)C1)c1ccccc1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-7-4-8-19(9-12)10-13(18)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,18H2
InChIKeyDIHPNKFPMBNFEL-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-phenyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethanol
CID 2077827
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
CID 134586238
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
2-(4-tert-butylazepan-1-yl)-1-(3-fluorophenyl)ethanamine
CID 107521429
2-(3-tert-butylpyrrolidin-1-yl)-1-(4-fluorophenyl)ethanamine
CID 107521966
3-[(2R)-2-amino-2-phenylethyl]-1-[(2,6-difluorophenyl)methyl]-6-methyl-5-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine-2,4-dione
CID 67143591
1-(2-methylpentyl)-3-(trifluoromethyl)piperidine
CID 155261854

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 63771038) is 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is NC(CN1CCCC(C(F)(F)F)C1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is DIHPNKFPMBNFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)12-7-4-8-19(9-12)10-13(18)11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,18H2.
What are the key properties of 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 272.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 63771038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).