1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine

C17H23FN2 — CID 10107412

IUPAC1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine
SMILESC=C(/C=c1/cccc/c1=C(/F)N1CCN(C)CC1)CC
InChIInChI=1S/C17H23FN2/c1-4-14(2)13-15-7-5-6-8-16(15)17(18)20-11-9-19(3)10-12-20/h5-8,13H,2,4,9-12H2,1,3H3/b15-13-,17-16+
InChIKeyDNUIUMNRSRLVOJ-OBJKYRPYSA-N
MW274.38 g/mol
LogP1.72
Rot. Bonds3

About 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine

1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine (PubChem CID 10107412) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine
PubChem CID10107412
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine
SMILESC=C(/C=c1/cccc/c1=C(/F)N1CCN(C)CC1)CC
InChIInChI=1S/C17H23FN2/c1-4-14(2)13-15-7-5-6-8-16(15)17(18)20-11-9-19(3)10-12-20/h5-8,13H,2,4,9-12H2,1,3H3/b15-13-,17-16+
InChIKeyDNUIUMNRSRLVOJ-OBJKYRPYSA-N
XLogP1.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
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-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-Methyl-4-[[6-(trifluoromethyl)cyclohexa-2,4-dien-1-ylidene]methyl]piperazine
CID 141330354
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-fluoropiperazine
CID 143401046
1-[(E,2E)-2-ethylidene-4-fluorohex-3-enyl]-4-methylpiperazine
CID 144191887
1-[(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienyl]-4-methylpiperazine
CID 166462619
1-ethyl-4-[(3E)-3-fluoro-2-methylidenehexa-3,5-dienyl]piperazine
CID 170709309
1-methyl-4-[(1E,3E)-2-methylpenta-1,3-dienyl]piperazine
CID 15665728
1-(Cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine
CID 70264180

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine?
The IUPAC name of 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine (CID 10107412) is 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine is C=C(/C=c1/cccc/c1=C(/F)N1CCN(C)CC1)CC.
What is the InChIKey of 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine?
The InChIKey is DNUIUMNRSRLVOJ-OBJKYRPYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-4-14(2)13-15-7-5-6-8-16(15)17(18)20-11-9-19(3)10-12-20/h5-8,13H,2,4,9-12H2,1,3H3/b15-13-,17-16+.
What are the key properties of 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine?
1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine has a molecular weight of 274.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-fluoro-[(6Z)-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]methyl]-4-methylpiperazine is sourced from PubChem (CID 10107412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).