1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine

C14H21F3N2 — CID 123679716

IUPAC1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
SMILESCC1=CC(C(F)(F)F)=C(CN2CCN(C)CC2)CC1
InChIInChI=1S/C14H21F3N2/c1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19/h9H,3-8,10H2,1-2H3
InChIKeyHJYAJTZKTHTFPJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP2.83
Rot. Bonds2

About 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine

1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine (PubChem CID 123679716) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
PubChem CID123679716
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine
SMILESCC1=CC(C(F)(F)F)=C(CN2CCN(C)CC2)CC1
InChIInChI=1S/C14H21F3N2/c1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19/h9H,3-8,10H2,1-2H3
InChIKeyHJYAJTZKTHTFPJ-UHFFFAOYSA-N
XLogP2.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4E,6Z,8E)-6-methyl-8-(trifluoromethyl)deca-4,6,8-trienyl]piperidine
CID 89355344
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 90224007
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4-methylpiperazine
CID 123342972
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-Ethyl-4-[2-(2,2,2-trifluoroethyl)but-2-enyl]piperazine
CID 123724920
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-[(2,6-Difluoro-4-methylcyclohexa-1,5-dien-1-yl)methyl]piperidine
CID 123953860
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine (CID 123679716) is 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine is CC1=CC(C(F)(F)F)=C(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine?
The InChIKey is HJYAJTZKTHTFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-11-3-4-12(13(9-11)14(15,16)17)10-19-7-5-18(2)6-8-19/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine?
1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine has a molecular weight of 274.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazine is sourced from PubChem (CID 123679716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).