(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine

C15H23FN2 — CID 142082960

IUPAC(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine
SMILES[H]/N=C(C(/C=C\C(C)=C(/C)F)=C/C)\N1CCCCC1
InChIInChI=1S/C15H23FN2/c1-4-14(9-8-12(2)13(3)16)15(17)18-10-6-5-7-11-18/h4,8-9,17H,5-7,10-11H2,1-3H3/b9-8-,13-12+,14-4+,17-15-
InChIKeyKRRFTELEEPJTCY-HVURYOQYSA-N
MW250.36 g/mol
LogP4.22
Rot. Bonds3

About (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine

(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine (PubChem CID 142082960) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine
PubChem CID142082960
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine
SMILES[H]/N=C(C(/C=C\C(C)=C(/C)F)=C/C)\N1CCCCC1
InChIInChI=1S/C15H23FN2/c1-4-14(9-8-12(2)13(3)16)15(17)18-10-6-5-7-11-18/h4,8-9,17H,5-7,10-11H2,1-3H3/b9-8-,13-12+,14-4+,17-15-
InChIKeyKRRFTELEEPJTCY-HVURYOQYSA-N
XLogP4.22
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-6-fluoro-4-methylidenehept-5-enyl]-N-methylethanimidamide
CID 141963030
1-[4-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanimine
CID 144041333
(3Z)-3-ethylidene-1-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]pyrrol-2-imine
CID 178081162
5-Fluoro-2-methylidene-1-piperidin-1-ylhept-3-en-1-imine
CID 142083480
(3,5-Dimethylpiperidin-1-yl)-(5-methylcyclohepta-1,4,6-trien-1-yl)methanimine;ethane
CID 141997071
(2Z,4Z)-2,4-dimethyl-1-piperidin-1-ylhexa-2,4-dien-1-imine
CID 144492340
N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
CID 146614260
(2E,4Z)-N-(aminosulfanylmethyl)-2,4-dimethyl-N-pentylhepta-2,4,6-trienimidamide
CID 146614528
Cyclohexa-1,5-dien-1-yl(piperidin-1-yl)methanimine
CID 173151829
(2Z,4E)-4-methyl-1-piperidin-1-ylhexa-2,4-dien-1-imine
CID 177982841
(3,5-Dimethylpiperidin-1-yl)-(5-methylcyclohepta-1,4,6-trien-1-yl)methanimine
CID 141997072
(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide
CID 142083608

Frequently Asked Questions

What is the IUPAC name of (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine?
The IUPAC name of (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine (CID 142082960) is (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine.
What is the SMILES notation for (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine?
The canonical SMILES for (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine is [H]/N=C(C(/C=C\C(C)=C(/C)F)=C/C)\N1CCCCC1.
What is the InChIKey of (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine?
The InChIKey is KRRFTELEEPJTCY-HVURYOQYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-4-14(9-8-12(2)13(3)16)15(17)18-10-6-5-7-11-18/h4,8-9,17H,5-7,10-11H2,1-3H3/b9-8-,13-12+,14-4+,17-15-.
What are the key properties of (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine?
(2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine has a molecular weight of 250.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z,5E)-2-ethylidene-6-fluoro-5-methyl-1-piperidin-1-ylhepta-3,5-dien-1-imine is sourced from PubChem (CID 142082960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).