N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine

C19H26F6N2 — CID 143612399

IUPACN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine
SMILESCCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(CC)N1C
InChIInChI=1S/C19H26F6N2/c1-4-16-9-15(10-17(5-2)27(16)3)26-11-12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h6-8,15-17,26H,4-5,9-11H2,1-3H3
InChIKeyNWKGZEZTMCMXBD-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.47
Rot. Bonds5

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine (PubChem CID 143612399) has the molecular formula C19H26F6N2 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine
PubChem CID143612399
Molecular FormulaC19H26F6N2
Molecular Weight396.42 g/mol
Exact Mass396.20
IUPAC NameN-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine
SMILESCCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(CC)N1C
InChIInChI=1S/C19H26F6N2/c1-4-16-9-15(10-17(5-2)27(16)3)26-11-12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h6-8,15-17,26H,4-5,9-11H2,1-3H3
InChIKeyNWKGZEZTMCMXBD-UHFFFAOYSA-N
XLogP5.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine
CID 143612420
1-[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethylpyrrolidin-1-yl]ethanone
CID 87310453
2-[(2S,6S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2,6-diethylpiperidin-1-yl]-1-[(2-methylpropan-2-yl)oxy]ethanol
CID 162584304
(2R,6S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethylpiperidin-4-amine
CID 87152826
[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethylpyrrolidin-1-yl]-cyclohexylmethanone
CID 87310463
methyl 4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethylpyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylate
CID 87310514
methyl 4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethylpyrrolidine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate
CID 87310513
tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-[(2-methylphenyl)methyl]piperidine-1-carboxylate
CID 76675869
(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 18335599
propan-2-yl (4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 143173766
propan-2-yl (2S,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131723997
ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 15524249

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine?
The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine (CID 143612399) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine?
The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine is CCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(CC)N1C.
What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine?
The InChIKey is NWKGZEZTMCMXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F6N2/c1-4-16-9-15(10-17(5-2)27(16)3)26-11-12-6-13(18(20,21)22)8-14(7-12)19(23,24)25/h6-8,15-17,26H,4-5,9-11H2,1-3H3.
What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine?
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine has a molecular weight of 396.42 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine is sourced from PubChem (CID 143612399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).