fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate

C18H19FN2O4 — CID 177332943

IUPACfluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate
SMILESCOc1cc(N2CCN(c3ccc(O)cc3)CC2)ccc1C(=O)OF
InChIInChI=1S/C18H19FN2O4/c1-24-17-12-14(4-7-16(17)18(23)25-19)21-10-8-20(9-11-21)13-2-5-15(22)6-3-13/h2-7,12,22H,8-11H2,1H3
InChIKeyAHEICANJTVMQJL-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.77
Rot. Bonds4

About fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate

fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate (PubChem CID 177332943) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate.

Molecular Properties

Compound Namefluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate
PubChem CID177332943
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namefluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate
SMILESCOc1cc(N2CCN(c3ccc(O)cc3)CC2)ccc1C(=O)OF
InChIInChI=1S/C18H19FN2O4/c1-24-17-12-14(4-7-16(17)18(23)25-19)21-10-8-20(9-11-21)13-2-5-15(22)6-3-13/h2-7,12,22H,8-11H2,1H3
InChIKeyAHEICANJTVMQJL-UHFFFAOYSA-N
XLogP2.77
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
2-methoxy-4-(4-methylpiperazin-1-yl)benzoyl chloride
CID 142792187
2-methoxy-4-piperazin-1-ylbenzoic acid
CID 84699390
(3,5-dimethoxy-4-methylphenyl)-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777604
fluoro 4-(4-hydroxypiperidin-1-yl)-2-methylbenzoate
CID 174368686
fluoro 4-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-methylbenzoate
CID 177332513
[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110363823
1-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 8779416
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
methyl 4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-2-methoxybenzoate
CID 140704130
1-[3-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-methoxyphenyl]ethanone
CID 8691222

Frequently Asked Questions

What is the IUPAC name of fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate?
The IUPAC name of fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate (CID 177332943) is fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate.
What is the SMILES notation for fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate?
The canonical SMILES for fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate is COc1cc(N2CCN(c3ccc(O)cc3)CC2)ccc1C(=O)OF.
What is the InChIKey of fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate?
The InChIKey is AHEICANJTVMQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-17-12-14(4-7-16(17)18(23)25-19)21-10-8-20(9-11-21)13-2-5-15(22)6-3-13/h2-7,12,22H,8-11H2,1H3.
What are the key properties of fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate?
fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate has a molecular weight of 346.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-[4-(4-hydroxyphenyl)piperazin-1-yl]-2-methoxybenzoate is sourced from PubChem (CID 177332943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).