[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone

C24H23FN2O3 — CID 112803676

IUPAC[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C24H23FN2O3/c25-19-10-8-18(9-11-19)17-30-23-7-2-1-6-22(23)24(29)27-14-12-26(13-15-27)20-4-3-5-21(28)16-20/h1-11,16,28H,12-15,17H2
InChIKeyTWAOYSDRCBYLRW-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.07
Rot. Bonds5

About [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone

[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone (PubChem CID 112803676) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
PubChem CID112803676
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C24H23FN2O3/c25-19-10-8-18(9-11-19)17-30-23-7-2-1-6-22(23)24(29)27-14-12-26(13-15-27)20-4-3-5-21(28)16-20/h1-11,16,28H,12-15,17H2
InChIKeyTWAOYSDRCBYLRW-UHFFFAOYSA-N
XLogP4.07
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
2-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543175
4-[4-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]phenyl]piperazine-1-carboxylic acid
CID 18545453
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
[2-[(2-bromophenyl)methoxy]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 55333873
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone (CID 112803676) is [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone is O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
The InChIKey is TWAOYSDRCBYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c25-19-10-8-18(9-11-19)17-30-23-7-2-1-6-22(23)24(29)27-14-12-26(13-15-27)20-4-3-5-21(28)16-20/h1-11,16,28H,12-15,17H2.
What are the key properties of [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone?
[2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone has a molecular weight of 406.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methoxy]phenyl]-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112803676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).