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

C24H28F6N2 — CID 143612420

IUPAC2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine
SMILESCCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(Cc2ccccc2)N1C
InChIInChI=1S/C24H28F6N2/c1-3-21-13-20(14-22(32(21)2)11-16-7-5-4-6-8-16)31-15-17-9-18(23(25,26)27)12-19(10-17)24(28,29)30/h4-10,12,20-22,31H,3,11,13-15H2,1-2H3
InChIKeyLLFGJTPBVMYMPM-UHFFFAOYSA-N
MW458.49 g/mol
LogP6.30
Rot. Bonds6

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

2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine (PubChem CID 143612420) has the molecular formula C24H28F6N2 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine
PubChem CID143612420
Molecular FormulaC24H28F6N2
Molecular Weight458.49 g/mol
Exact Mass458.22
IUPAC Name2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine
SMILESCCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(Cc2ccccc2)N1C
InChIInChI=1S/C24H28F6N2/c1-3-21-13-20(14-22(32(21)2)11-16-7-5-4-6-8-16)31-15-17-9-18(23(25,26)27)12-19(10-17)24(28,29)30/h4-10,12,20-22,31H,3,11,13-15H2,1-2H3
InChIKeyLLFGJTPBVMYMPM-UHFFFAOYSA-N
XLogP6.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2,6-diethyl-1-methylpiperidin-4-amine
CID 143612399
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
tert-butyl 4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-[(2-methylphenyl)methyl]piperidine-1-carboxylate
CID 76675869
[2-[[(4S)-2-benzyl-6-ethyl-1-methylpiperidin-4-yl]-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]amino]-1,3-oxazol-4-yl]methanol
CID 143612455
[(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
[(2S,4S)-2-benzyl-4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851598
[(2R,4S)-2-benzyl-4-[[3-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 57011750
methyl 4-[[(2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethylpyrrolidine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate
CID 87310513
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-phenylmethanamine
CID 42776865

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine?
The IUPAC name of 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine (CID 143612420) is 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine?
The canonical SMILES for 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine is CCC1CC(NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(Cc2ccccc2)N1C.
What is the InChIKey of 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine?
The InChIKey is LLFGJTPBVMYMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F6N2/c1-3-21-13-20(14-22(32(21)2)11-16-7-5-4-6-8-16)31-15-17-9-18(23(25,26)27)12-19(10-17)24(28,29)30/h4-10,12,20-22,31H,3,11,13-15H2,1-2H3.
What are the key properties of 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine?
2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine has a molecular weight of 458.49 g/mol, XLogP of 6.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-ethyl-1-methylpiperidin-4-amine is sourced from PubChem (CID 143612420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).