(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine

C15H21F3N2 — CID 141425766

IUPAC(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCN1[C@H](C)CN(c2cccc(C(F)(F)F)c2)C[C@@H]1C
InChIInChI=1S/C15H21F3N2/c1-4-20-11(2)9-19(10-12(20)3)14-7-5-6-13(8-14)15(16,17)18/h5-8,11-12H,4,9-10H2,1-3H3/t11-,12+
InChIKeyLNFNDNPIKCLUJI-TXEJJXNPSA-N
MW286.34 g/mol
LogP3.62
Rot. Bonds2

About (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine

(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine (PubChem CID 141425766) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
PubChem CID141425766
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
SMILESCCN1[C@H](C)CN(c2cccc(C(F)(F)F)c2)C[C@@H]1C
InChIInChI=1S/C15H21F3N2/c1-4-20-11(2)9-19(10-12(20)3)14-7-5-6-13(8-14)15(16,17)18/h5-8,11-12H,4,9-10H2,1-3H3/t11-,12+
InChIKeyLNFNDNPIKCLUJI-TXEJJXNPSA-N
XLogP3.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
5-ethyl-2-methyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64930789
1-(1-ethylpiperidin-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 45217580
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
4,4,6-trimethyl-1-[3-(trifluoromethyl)phenyl]-1,5-diazocane
CID 146522074
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3317565
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine (CID 141425766) is (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine is CCN1[C@H](C)CN(c2cccc(C(F)(F)F)c2)C[C@@H]1C.
What is the InChIKey of (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine?
The InChIKey is LNFNDNPIKCLUJI-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-4-20-11(2)9-19(10-12(20)3)14-7-5-6-13(8-14)15(16,17)18/h5-8,11-12H,4,9-10H2,1-3H3/t11-,12+.
What are the key properties of (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine?
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine has a molecular weight of 286.34 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 141425766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).