1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol

C28H27F2N3O — CID 10298197

IUPAC1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2cccc3cccnc23)CC1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H27F2N3O/c29-24-10-6-22(7-11-24)28(34,23-8-12-25(30)13-9-23)14-16-32-17-19-33(20-18-32)26-5-1-3-21-4-2-15-31-27(21)26/h1-13,15,34H,14,16-20H2
InChIKeyLOMJZFFDCUBDIL-UHFFFAOYSA-N
MW459.54 g/mol
LogP4.96
Rot. Bonds6

About 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol

1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol (PubChem CID 10298197) has the molecular formula C28H27F2N3O and a molecular weight of 459.54 g/mol. Its IUPAC name is 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
PubChem CID10298197
Molecular FormulaC28H27F2N3O
Molecular Weight459.54 g/mol
Exact Mass459.21
IUPAC Name1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol
SMILESOC(CCN1CCN(c2cccc3cccnc23)CC1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C28H27F2N3O/c29-24-10-6-22(7-11-24)28(34,23-8-12-25(30)13-9-23)14-16-32-17-19-33(20-18-32)26-5-1-3-21-4-2-15-31-27(21)26/h1-13,15,34H,14,16-20H2
InChIKeyLOMJZFFDCUBDIL-UHFFFAOYSA-N
XLogP4.96
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol with MolForge

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Related Compounds

8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
8-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 113079783
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1,1-dipyridin-2-ylpropan-1-ol
CID 22482100
8-[4-[4-(4-fluoro-1-benzothiophen-3-yl)butyl]piperazin-1-yl]quinoline
CID 10895059
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
N-propyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113103296
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one
CID 15541847
6-[4-(4-quinolin-8-ylpiperazin-1-yl)butoxy]-4H-pyrido[3,2-b][1,4]oxazine
CID 142681677
(2-chloro-6-fluorophenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079758

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol (CID 10298197) is 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol is OC(CCN1CCN(c2cccc3cccnc23)CC1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is LOMJZFFDCUBDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O/c29-24-10-6-22(7-11-24)28(34,23-8-12-25(30)13-9-23)14-16-32-17-19-33(20-18-32)26-5-1-3-21-4-2-15-31-27(21)26/h1-13,15,34H,14,16-20H2.
What are the key properties of 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol?
1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 459.54 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-fluorophenyl)-3-(4-quinolin-8-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 10298197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).