N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine

C43H57F9N4O2 — CID 123268237

IUPACN,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine
SMILESCc1cc(N(C)C2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(OC2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2.2C14H18F3NO/c1-11-8-12(15(16,17)18)10-14(9-11)20(3)13-4-6-19(2)7-5-13;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-3-4-13(12(9-10)14(15,16)17)19-11-5-7-18(2)8-6-11/h8-10,13H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3;3-4,9,11H,5-8H2,1-2H3
InChIKeyHXHOYHZUXYOFLA-UHFFFAOYSA-N
MW832.94 g/mol
LogP10.52
Rot. Bonds6

About N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine

N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine (PubChem CID 123268237) has the molecular formula C43H57F9N4O2 and a molecular weight of 832.94 g/mol. Its IUPAC name is N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound NameN,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine
PubChem CID123268237
Molecular FormulaC43H57F9N4O2
Molecular Weight832.94 g/mol
Exact Mass832.43
IUPAC NameN,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine
SMILESCc1cc(N(C)C2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(OC2CCN(C)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2.2C14H18F3NO/c1-11-8-12(15(16,17)18)10-14(9-11)20(3)13-4-6-19(2)7-5-13;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-3-4-13(12(9-10)14(15,16)17)19-11-5-7-18(2)8-6-11/h8-10,13H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3;3-4,9,11H,5-8H2,1-2H3
InChIKeyHXHOYHZUXYOFLA-UHFFFAOYSA-N
XLogP10.52
TPSA31.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.94
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}butyl-4-(3''-trifluoromethylphenyl)piperazine
CID 25156966
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(3''-trifluoromethylphenyl)piperazine
CID 25156129
3-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}propyl-4-(4''-fluorophenyl)piperazine
CID 25156133
2-{2-[2-(3-Methoxyphenyl)ethyl]phenoxy}ethyl-4-(3''-trifluoromethyl)piperazine
CID 25158434
N-phenyl-N-[3-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propyl]aniline
CID 13060437
4-[2-[4-[4-[(Z)-2-fluoro-4-(3-piperidin-1-ylphenyl)but-2-enyl]phenyl]phenoxy]ethyl]morpholine
CID 57737751
1-[3-(4-Methylphenoxy)-3-phenylpropyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 58057996
3-Phenyl-6-[1,2,2,2-tetrafluoro-1-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
CID 58427658
4-[2-[4-[[(2S,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylphenoxy]ethyl]-1-[4-isocyano-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 58772643
4-[2-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylphenoxy]ethyl]-1-[4-isocyano-3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59477174
6-[1,1,1,3,3,3-Hexafluoro-2-[3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1,3-benzoxazin-6-yl]propan-2-yl]-3-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1,3-benzoxazine
CID 59742414
6-[1,1-Bis[3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-3-(2,4-difluorophenyl)-2,4-dihydro-1,3-benzoxazine
CID 59742425

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine (CID 123268237) is N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine is Cc1cc(N(C)C2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1cc(OC2CCN(C)CC2)cc(C(F)(F)F)c1.Cc1ccc(OC2CCN(C)CC2)c(C(F)(F)F)c1.
What is the InChIKey of N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is HXHOYHZUXYOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.2C14H18F3NO/c1-11-8-12(15(16,17)18)10-14(9-11)20(3)13-4-6-19(2)7-5-13;1-10-7-11(14(15,16)17)9-13(8-10)19-12-3-5-18(2)6-4-12;1-10-3-4-13(12(9-10)14(15,16)17)19-11-5-7-18(2)8-6-11/h8-10,13H,4-7H2,1-3H3;7-9,12H,3-6H2,1-2H3;3-4,9,11H,5-8H2,1-2H3.
What are the key properties of N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine?
N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 832.94 g/mol, XLogP of 10.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[3-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine;1-methyl-4-[3-methyl-5-(trifluoromethyl)phenoxy]piperidine;1-methyl-4-[4-methyl-2-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 123268237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).