1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine

C12H18F2N2 — CID 166462619

IUPAC1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine
SMILESC=C/C(F)=C(/F)C(=C)CN1CCN(C)CC1
InChIInChI=1S/C12H18F2N2/c1-4-11(13)12(14)10(2)9-16-7-5-15(3)6-8-16/h4H,1-2,5-9H2,3H3/b12-11-
InChIKeyFFRIEJAKCABKAF-QXMHVHEDSA-N
MW228.29 g/mol
LogP2.13
Rot. Bonds4

About 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine

1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine (PubChem CID 166462619) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine
PubChem CID166462619
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine
SMILESC=C/C(F)=C(/F)C(=C)CN1CCN(C)CC1
InChIInChI=1S/C12H18F2N2/c1-4-11(13)12(14)10(2)9-16-7-5-15(3)6-8-16/h4H,1-2,5-9H2,3H3/b12-11-
InChIKeyFFRIEJAKCABKAF-QXMHVHEDSA-N
XLogP2.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
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-Ethyl-4-[2-methyl-3-(trifluoromethyl)penta-2,4-dienyl]piperazine
CID 123728932
1-[2-Ethenyl-3-(trifluoromethyl)penta-2,4-dienyl]-4-ethylpiperazine
CID 123762068
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-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine (CID 166462619) is 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine is C=C/C(F)=C(/F)C(=C)CN1CCN(C)CC1.
What is the InChIKey of 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine?
The InChIKey is FFRIEJAKCABKAF-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-4-11(13)12(14)10(2)9-16-7-5-15(3)6-8-16/h4H,1-2,5-9H2,3H3/b12-11-.
What are the key properties of 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine?
1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine has a molecular weight of 228.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine is sourced from PubChem (CID 166462619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).