4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine

C34H32F2N2O2 — CID 22728683

IUPAC4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
SMILESFc1cc(F)cc(C2(c3ccc(N4CCCCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1
InChIInChI=1S/C34H32F2N2O2/c35-26-20-25(21-27(36)22-26)34(24-8-10-28(11-9-24)37-14-4-1-5-15-37)13-12-31-29-6-2-3-7-30(29)32(23-33(31)40-34)38-16-18-39-19-17-38/h2-3,6-13,20-23H,1,4-5,14-19H2
InChIKeyCRDQVQWUHPXYBJ-UHFFFAOYSA-N
MW538.64 g/mol
LogP7.29
Rot. Bonds4

About 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine

4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine (PubChem CID 22728683) has the molecular formula C34H32F2N2O2 and a molecular weight of 538.64 g/mol. Its IUPAC name is 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
PubChem CID22728683
Molecular FormulaC34H32F2N2O2
Molecular Weight538.64 g/mol
Exact Mass538.24
IUPAC Name4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
SMILESFc1cc(F)cc(C2(c3ccc(N4CCCCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1
InChIInChI=1S/C34H32F2N2O2/c35-26-20-25(21-27(36)22-26)34(24-8-10-28(11-9-24)37-14-4-1-5-15-37)13-12-31-29-6-2-3-7-30(29)32(23-33(31)40-34)38-16-18-39-19-17-38/h2-3,6-13,20-23H,1,4-5,14-19H2
InChIKeyCRDQVQWUHPXYBJ-UHFFFAOYSA-N
XLogP7.29
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2,8-Dihydroxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10412249
2,8-Dimethoxy-5-[4-[2-(1-piperidinyl)ethoxy]phenyl]-6H-benzo[c]phenanthridine
CID 10918038
(2S,3R)-8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130391940
(6aS)-11-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 53318565
(+)-R-11-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-N-propylnoraporphine
CID 53321194
11-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 53325137
8-morpholin-4-yl-3-(2,4,5-trifluorophenyl)-2,3-dihydro-1H-benzo[f]chromen-2-amine
CID 130392115
6-Morpholino-3-(4-morpholinophenyl)-3-phenyl-3h-naphtho[2,1-b]pyran
CID 9806148
4-(3,3-Diphenylbenzo[f]chromen-6-yl)morpholine
CID 22590674
2-(4-fluorophenyl)-6-methoxy-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 9826179
(2R)-1,1,1-trifluoro-3-[N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10075594
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)anilino]propan-2-ol
CID 10167794

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine?
The IUPAC name of 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine (CID 22728683) is 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine.
What is the SMILES notation for 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine?
The canonical SMILES for 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine is Fc1cc(F)cc(C2(c3ccc(N4CCCCC4)cc3)C=Cc3c(cc(N4CCOCC4)c4ccccc34)O2)c1.
What is the InChIKey of 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine?
The InChIKey is CRDQVQWUHPXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N2O2/c35-26-20-25(21-27(36)22-26)34(24-8-10-28(11-9-24)37-14-4-1-5-15-37)13-12-31-29-6-2-3-7-30(29)32(23-33(31)40-34)38-16-18-39-19-17-38/h2-3,6-13,20-23H,1,4-5,14-19H2.
What are the key properties of 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine?
4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine has a molecular weight of 538.64 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-difluorophenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine is sourced from PubChem (CID 22728683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).