N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine

C25H28FN3 — CID 142492280

IUPACN-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine
SMILESC/C=N/C(=C\c1c(C)cc(-c2cc(C)c3c(n2)=CCC=3)cc1F)C1CCNCC1
InChIInChI=1S/C25H28FN3/c1-4-28-24(18-8-10-27-11-9-18)15-21-16(2)12-19(14-22(21)26)25-13-17(3)20-6-5-7-23(20)29-25/h4,6-7,12-15,18,27H,5,8-11H2,1-3H3/b24-15-,28-4+
InChIKeyTWZLFDRZQBDIRU-TUIYTENKSA-N
MW389.52 g/mol
LogP3.90
Rot. Bonds4

About N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine

N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine (PubChem CID 142492280) has the molecular formula C25H28FN3 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine
PubChem CID142492280
Molecular FormulaC25H28FN3
Molecular Weight389.52 g/mol
Exact Mass389.23
IUPAC NameN-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine
SMILESC/C=N/C(=C\c1c(C)cc(-c2cc(C)c3c(n2)=CCC=3)cc1F)C1CCNCC1
InChIInChI=1S/C25H28FN3/c1-4-28-24(18-8-10-27-11-9-18)15-21-16(2)12-19(14-22(21)26)25-13-17(3)20-6-5-7-23(20)29-25/h4,6-7,12-15,18,27H,5,8-11H2,1-3H3/b24-15-,28-4+
InChIKeyTWZLFDRZQBDIRU-TUIYTENKSA-N
XLogP3.90
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-7-methyl-5,6-dihydro-1H-cyclopenta[b]pyrazine
CID 22037939
14-Fluoro-5-methyl-16-piperidin-4-ylidene-9-azatricyclo[8.6.0.02,7]hexadeca-2(7),3,5,9,12,14-hexaene
CID 57122716
4-(2,6-Dimethyl-4-fluorobenzylamino)-2,2-dimethylbenzimidazole
CID 86758570
(1E)-N-ethenyl-1-[6-(5-fluoro-2-methylphenyl)-2-(piperidin-4-ylmethyl)-4H-pyridin-3-ylidene]propan-2-imine
CID 129170197
(3E,5E)-N-(1-cycloheptylpropan-2-yl)-5-fluoro-2-(3-fluoro-2,5-dimethylbenzenecarboximidoyl)hepta-1,3,5-trien-4-amine
CID 130340774
(Z)-1-[5,5-difluoro-2-[[5-fluoro-2-methyl-4-[(E)-3-methyliminoprop-1-enyl]phenyl]methyl]cyclohexyl]-N-methylprop-1-en-1-amine
CID 132239522
5-[4-(2-fluoro-2-methylpropyl)phenyl]-3-[2-(5-methylidenepyrrolidin-3-yl)ethyl]-1H-isoindole
CID 134255155
5-[(Z)-2-cyclobutyl-1-[2-[[[(E)-7-(ethenylamino)hept-2-enyl]amino]methyl]-3,4-dihydropyridin-5-yl]-2-phenylethenyl]-2-methylbenzenecarboximidoyl fluoride
CID 134555764
1-[4-(2-Ethyl-6-fluoro-4-methylphenyl)piperidin-4-yl]ethanimine
CID 138614338
4-[3-[N-[(E)-2-aminoprop-1-enyl]-C-ethenylcarbonimidoyl]-6-cyclobutyl-2-fluorophenyl]-N,2-dimethylbutan-1-amine
CID 139439401
N-ethyl-3-[[4-(1-ethylpiperidin-4-yl)-3-fluorophenyl]methyl]-3,4-dihydropyridin-5-amine
CID 141291069
N-ethyl-3-[[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]methyl]-3,4-dihydropyridin-5-amine
CID 141291124

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine?
The IUPAC name of N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine (CID 142492280) is N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine?
The canonical SMILES for N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine is C/C=N/C(=C\c1c(C)cc(-c2cc(C)c3c(n2)=CCC=3)cc1F)C1CCNCC1.
What is the InChIKey of N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine?
The InChIKey is TWZLFDRZQBDIRU-TUIYTENKSA-N. The full InChI is InChI=1S/C25H28FN3/c1-4-28-24(18-8-10-27-11-9-18)15-21-16(2)12-19(14-22(21)26)25-13-17(3)20-6-5-7-23(20)29-25/h4,6-7,12-15,18,27H,5,8-11H2,1-3H3/b24-15-,28-4+.
What are the key properties of N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine?
N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine has a molecular weight of 389.52 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[2-fluoro-6-methyl-4-(4-methyl-6H-cyclopenta[b]pyridin-2-yl)phenyl]-1-piperidin-4-ylethenyl]ethanimine is sourced from PubChem (CID 142492280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).