1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine

C18H26F3N3 — CID 142300725

IUPAC1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=CN1C(C(C)N2CCN(CC(F)(F)F)CC2)=C(C)C=C/C1=C/C
InChIInChI=1S/C18H26F3N3/c1-5-16-8-7-14(3)17(24(16)6-2)15(4)23-11-9-22(10-12-23)13-18(19,20)21/h5-8,15H,2,9-13H2,1,3-4H3/b16-5-
InChIKeyKRPXIGDUFAVWED-BNCCVWRVSA-N
MW341.42 g/mol
LogP3.75
Rot. Bonds4

About 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine

1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 142300725) has the molecular formula C18H26F3N3 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID142300725
Molecular FormulaC18H26F3N3
Molecular Weight341.42 g/mol
Exact Mass341.21
IUPAC Name1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine
SMILESC=CN1C(C(C)N2CCN(CC(F)(F)F)CC2)=C(C)C=C/C1=C/C
InChIInChI=1S/C18H26F3N3/c1-5-16-8-7-14(3)17(24(16)6-2)15(4)23-11-9-22(10-12-23)13-18(19,20)21/h5-8,15H,2,9-13H2,1,3-4H3/b16-5-
InChIKeyKRPXIGDUFAVWED-BNCCVWRVSA-N
XLogP3.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine with MolForge

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Related Compounds

(2S)-1-(3,5-difluoro-3-methylcyclohexa-1,5-dien-1-yl)-2,4-dimethylpiperazine
CID 69939424
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
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
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
2-methyl-1-propan-2-yl-4-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 129260193
1-(4-Fluorocyclohexa-1,5-dien-1-yl)-4-propan-2-ylpiperazine
CID 129260203
1-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-[(4-methylcyclohepta-1,3,6-trien-1-yl)methyl]piperazine
CID 130350914
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
1-[(Z)-3-(2,3-dihydropyrrol-1-yl)-4-methylhex-3-en-2-yl]-4-(2,2,2-trifluoroethyl)piperazine
CID 134340540

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine (CID 142300725) is 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine is C=CN1C(C(C)N2CCN(CC(F)(F)F)CC2)=C(C)C=C/C1=C/C.
What is the InChIKey of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is KRPXIGDUFAVWED-BNCCVWRVSA-N. The full InChI is InChI=1S/C18H26F3N3/c1-5-16-8-7-14(3)17(24(16)6-2)15(4)23-11-9-22(10-12-23)13-18(19,20)21/h5-8,15H,2,9-13H2,1,3-4H3/b16-5-.
What are the key properties of 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine?
1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 341.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(6Z)-1-ethenyl-6-ethylidene-3-methyl-2-pyridinyl]ethyl]-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 142300725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).