(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

C20H23FN2O3 — CID 55379370

IUPAC(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C20H23FN2O3/c1-25-17-7-8-18(19(21)15-17)20(24)23-11-9-22(10-12-23)13-14-26-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyUPEBTLDANCODNI-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.67
Rot. Bonds6

About (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone

(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (PubChem CID 55379370) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
PubChem CID55379370
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(F)c1
InChIInChI=1S/C20H23FN2O3/c1-25-17-7-8-18(19(21)15-17)20(24)23-11-9-22(10-12-23)13-14-26-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyUPEBTLDANCODNI-UHFFFAOYSA-N
XLogP2.67
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-bromoethyl)piperazin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885135
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113074785
(2-fluoro-4-methoxyphenyl)-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95345550
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
(2-aminophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 119946208
(4-bromo-2-chlorophenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 55826065
(2-methoxy-4-pyridinyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 70726421
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(2-methoxy-4-methylsulfanylphenyl)methanone
CID 9100615

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone (CID 55379370) is (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
The InChIKey is UPEBTLDANCODNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-17-7-8-18(19(21)15-17)20(24)23-11-9-22(10-12-23)13-14-26-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone?
(2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone has a molecular weight of 358.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55379370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).