(Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine

C15H26F3N3 — CID 134340775

IUPAC(Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
SMILESC=CN/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3/c1-5-12(3)14(19-6-2)13(4)21-9-7-20(8-10-21)11-15(16,17)18/h6,13,19H,2,5,7-11H2,1,3-4H3/b14-12-
InChIKeyYMMARNCHIGXVRA-OWBHPGMISA-N
MW305.39 g/mol
LogP2.97
Rot. Bonds6

About (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine

(Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine (PubChem CID 134340775) has the molecular formula C15H26F3N3 and a molecular weight of 305.39 g/mol. Its IUPAC name is (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
PubChem CID134340775
Molecular FormulaC15H26F3N3
Molecular Weight305.39 g/mol
Exact Mass305.21
IUPAC Name(Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
SMILESC=CN/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H26F3N3/c1-5-12(3)14(19-6-2)13(4)21-9-7-20(8-10-21)11-15(16,17)18/h6,13,19H,2,5,7-11H2,1,3-4H3/b14-12-
InChIKeyYMMARNCHIGXVRA-OWBHPGMISA-N
XLogP2.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-N-[(3Z)-3-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]-4,4,4-trifluorobutane-1,2-diamine
CID 134189210
(Z)-4-methyl-2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]hex-3-en-3-amine
CID 134340500
(Z)-N-[(Z)-but-1-enyl]-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine
CID 134340729
2-Methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pent-2-en-3-amine
CID 139311137
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
3-Methyl-1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 143524161
(2E,4Z)-1,1,1-trifluoro-6-[(4-methylpiperazin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 146573445
1-[(3E,5Z)-3-methyl-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperazine
CID 153600583

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The IUPAC name of (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine (CID 134340775) is (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine.
What is the SMILES notation for (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The canonical SMILES for (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine is C=CN/C(=C(/C)CC)C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
The InChIKey is YMMARNCHIGXVRA-OWBHPGMISA-N. The full InChI is InChI=1S/C15H26F3N3/c1-5-12(3)14(19-6-2)13(4)21-9-7-20(8-10-21)11-15(16,17)18/h6,13,19H,2,5,7-11H2,1,3-4H3/b14-12-.
What are the key properties of (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine?
(Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine has a molecular weight of 305.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethenyl-4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hex-3-en-3-amine is sourced from PubChem (CID 134340775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).