1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine

C33H40F2N2O2 — CID 143175261

IUPAC1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine
SMILESCCC1CCCNC1.CCCCC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1/N=C(\C)c1ccccc1OC
InChIInChI=1S/C26H25F2NO2.C7H15N/c1-4-5-9-25(30)23-15-18(19-13-20(27)16-21(28)14-19)11-12-24(23)29-17(2)22-8-6-7-10-26(22)31-3;1-2-7-4-3-5-8-6-7/h6-8,10-16H,4-5,9H2,1-3H3;7-8H,2-6H2,1H3/b29-17+;
InChIKeyDRISFYPBGGYIOW-WDCVSKPTSA-N
MW534.69 g/mol
LogP8.55
Rot. Bonds9

About 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine

1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine (PubChem CID 143175261) has the molecular formula C33H40F2N2O2 and a molecular weight of 534.69 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine
PubChem CID143175261
Molecular FormulaC33H40F2N2O2
Molecular Weight534.69 g/mol
Exact Mass534.31
IUPAC Name1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine
SMILESCCC1CCCNC1.CCCCC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1/N=C(\C)c1ccccc1OC
InChIInChI=1S/C26H25F2NO2.C7H15N/c1-4-5-9-25(30)23-15-18(19-13-20(27)16-21(28)14-19)11-12-24(23)29-17(2)22-8-6-7-10-26(22)31-3;1-2-7-4-3-5-8-6-7/h6-8,10-16H,4-5,9H2,1-3H3;7-8H,2-6H2,1H3/b29-17+;
InChIKeyDRISFYPBGGYIOW-WDCVSKPTSA-N
XLogP8.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.69
LogP ≤ 58.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(3,4-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one
CID 143175154
1-[2-[1-(2-methoxyphenyl)ethylideneamino]-5-(2-methylpropyl)phenyl]pentan-1-one
CID 143174923
1-(2-butyl-5-phenoxyphenyl)butan-1-one;3-ethylpiperidine;1-methoxy-2-prop-1-en-2-ylbenzene
CID 143174724
1-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-3-ylethanone
CID 116583525
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(2,5-dimethoxyphenyl)-2-piperidin-3-ylethanone
CID 116564241
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
N-(2-methoxy-5-methylphenyl)-2-piperidin-3-ylacetamide
CID 62689682
N-(2-methoxyphenyl)-2-(piperidin-3-ylmethylsulfanyl)acetamide
CID 82182065
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
3-butoxy-1-(2-methoxyphenyl)propan-1-one
CID 55096402

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine?
The IUPAC name of 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine (CID 143175261) is 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine.
What is the SMILES notation for 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine?
The canonical SMILES for 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine is CCC1CCCNC1.CCCCC(=O)c1cc(-c2cc(F)cc(F)c2)ccc1/N=C(\C)c1ccccc1OC.
What is the InChIKey of 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine?
The InChIKey is DRISFYPBGGYIOW-WDCVSKPTSA-N. The full InChI is InChI=1S/C26H25F2NO2.C7H15N/c1-4-5-9-25(30)23-15-18(19-13-20(27)16-21(28)14-19)11-12-24(23)29-17(2)22-8-6-7-10-26(22)31-3;1-2-7-4-3-5-8-6-7/h6-8,10-16H,4-5,9H2,1-3H3;7-8H,2-6H2,1H3/b29-17+;.
What are the key properties of 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine?
1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine has a molecular weight of 534.69 g/mol, XLogP of 8.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluorophenyl)-2-[1-(2-methoxyphenyl)ethylideneamino]phenyl]pentan-1-one;3-ethylpiperidine is sourced from PubChem (CID 143175261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).