(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine

C15H21F3N2O — CID 129381116

IUPAC(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine
SMILESC[C@@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)CCN1C
InChIInChI=1S/C15H21F3N2O/c1-11-9-12(7-8-20(11)2)19-13-5-3-4-6-14(13)21-10-15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXCCGGIRRAMMMSR-NEPJUHHUSA-N
MW302.34 g/mol
LogP3.52
Rot. Bonds4

About (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine

(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine (PubChem CID 129381116) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine
PubChem CID129381116
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine
SMILESC[C@@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)CCN1C
InChIInChI=1S/C15H21F3N2O/c1-11-9-12(7-8-20(11)2)19-13-5-3-4-6-14(13)21-10-15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXCCGGIRRAMMMSR-NEPJUHHUSA-N
XLogP3.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]azepan-4-amine
CID 65070364
N-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 64734525
N-(2-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465704
N-[2-(difluoromethoxy)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81465818
3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine
CID 104834770
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60716131
N-[(2R,4R)-1,2-dimethylpiperidin-4-yl]-3-[(4-fluorophenyl)methyl]pyrazin-2-amine
CID 156875168
2-bromo-4-[(1,2-dimethylpiperidin-4-yl)amino]-3-fluorobenzoic acid
CID 107540427
N-[2-(2,2-difluoroethoxy)phenyl]-1-methoxypiperidin-4-amine
CID 154783141
N-[(1-methylimidazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
CID 62357263
(2S,4S)-2-methyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619560

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine?
The IUPAC name of (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine (CID 129381116) is (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine is C[C@@H]1C[C@@H](Nc2ccccc2OCC(F)(F)F)CCN1C.
What is the InChIKey of (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine?
The InChIKey is XCCGGIRRAMMMSR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-9-12(7-8-20(11)2)19-13-5-3-4-6-14(13)21-10-15(16,17)18/h3-6,11-12,19H,7-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine?
(2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine has a molecular weight of 302.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 129381116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).