1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol

C21H27F2N3O — CID 57238443

IUPAC1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27F2N3O/c1-17(27)25-15-13-24(14-16-25)11-2-12-26(20-7-3-18(22)4-8-20)21-9-5-19(23)6-10-21/h3-10,17,27H,2,11-16H2,1H3
InChIKeyAZDHGKADGHXQEK-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.45
Rot. Bonds7

About 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol

1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol (PubChem CID 57238443) has the molecular formula C21H27F2N3O and a molecular weight of 375.46 g/mol. Its IUPAC name is 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol
PubChem CID57238443
Molecular FormulaC21H27F2N3O
Molecular Weight375.46 g/mol
Exact Mass375.21
IUPAC Name1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol
SMILESCC(O)N1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27F2N3O/c1-17(27)25-15-13-24(14-16-25)11-2-12-26(20-7-3-18(22)4-8-20)21-9-5-19(23)6-10-21/h3-10,17,27H,2,11-16H2,1H3
InChIKeyAZDHGKADGHXQEK-UHFFFAOYSA-N
XLogP3.45
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-(4-fluoro-N-(4-fluorophenyl)anilino)propan-1-ol
CID 143560345
2,3-dihydroxybutanedioic acid;4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
CID 70531043
N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 99792281
4-fluoro-N-[3-[4-(4-fluorophenoxy)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-(4-fluorophenyl)aniline
CID 12763891
4-fluoro-N-methyl-N-(4-piperazin-1-ylbutyl)aniline
CID 115240347
4-fluoro-N-(4-fluorophenyl)-N-(3-iodopropyl)aniline
CID 23213918
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
1-(4-fluoro-2-hydroxyphenyl)-4-[4-[2-(N-phenylanilino)ethyl]piperazin-1-yl]butan-1-one
CID 70590386
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
CID 57117237
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline;dihydrochloride
CID 131882712
1-(4-fluorophenyl)-4-morpholin-4-ylbutan-1-ol
CID 4132449

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol?
The IUPAC name of 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol (CID 57238443) is 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol?
The canonical SMILES for 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol is CC(O)N1CCN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol?
The InChIKey is AZDHGKADGHXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O/c1-17(27)25-15-13-24(14-16-25)11-2-12-26(20-7-3-18(22)4-8-20)21-9-5-19(23)6-10-21/h3-10,17,27H,2,11-16H2,1H3.
What are the key properties of 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol?
1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol has a molecular weight of 375.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 57238443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).