[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone

C30H31Cl2FN2O2 — CID 44528710

IUPAC[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C30H31Cl2FN2O2/c31-27-11-8-25(20-28(27)32)30(14-17-34-15-12-23(13-16-34)22-4-2-1-3-5-22)21-35(18-19-37-30)29(36)24-6-9-26(33)10-7-24/h1-11,20,23H,12-19,21H2
InChIKeyOWXFBRUOUNYNQU-UHFFFAOYSA-N
MW541.49 g/mol
LogP6.77
Rot. Bonds6

About [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone

[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 44528710) has the molecular formula C30H31Cl2FN2O2 and a molecular weight of 541.49 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
PubChem CID44528710
Molecular FormulaC30H31Cl2FN2O2
Molecular Weight541.49 g/mol
Exact Mass540.17
IUPAC Name[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C30H31Cl2FN2O2/c31-27-11-8-25(20-28(27)32)30(14-17-34-15-12-23(13-16-34)22-4-2-1-3-5-22)21-35(18-19-37-30)29(36)24-6-9-26(33)10-7-24/h1-11,20,23H,12-19,21H2
InChIKeyOWXFBRUOUNYNQU-UHFFFAOYSA-N
XLogP6.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.49
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-Dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidino)butyl]-N-methylbenzamide
CID 18964186
1''-[3-(3,4-Dichlorophenyl)-4-methyl(phenyl)carboxamidobutyl]spiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]
CID 9892984
4-[1-[(3-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-(3,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 6099523
4-[1-[(4-Chlorophenyl)methoxy]-3-phenylpropan-2-yl]-1-(3,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 6099892
1-[2-[2-(4-Acetyl-4-phenylpiperidin-1-yl)ethyl]-2-(3,4-dichlorophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 44528700
1-[1-[2-[4-(Cyclopentanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528701
1-[1-[2-[4-(Cyclohexanecarbonyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528702
Cyclopentyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528703
Cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone
CID 44528705
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 44528712
[2-(3,4-Dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-ethoxyphenyl)methanone
CID 44528720
1-[1-[2-[4-(3-Chlorobenzoyl)-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]ethanone
CID 44528723

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone (CID 44528710) is [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCOC(CCN2CCC(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is OWXFBRUOUNYNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2FN2O2/c31-27-11-8-25(20-28(27)32)30(14-17-34-15-12-23(13-16-34)22-4-2-1-3-5-22)21-35(18-19-37-30)29(36)24-6-9-26(33)10-7-24/h1-11,20,23H,12-19,21H2.
What are the key properties of [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone?
[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 541.49 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 44528710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).