1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride

C24H32ClFN2O5 — CID 67298802

IUPAC1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1cc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C24H31FN2O5.ClH/c1-29-21-16-18(17-22(30-2)24(21)31-3)8-9-23(28)27-12-10-26(11-13-27)14-15-32-20-7-5-4-6-19(20)25;/h4-7,16-17H,8-15H2,1-3H3;1H
InChIKeyRCRUKDBFLIVRBT-UHFFFAOYSA-N
MW482.98 g/mol
LogP3.43
Rot. Bonds10

About 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride

1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride (PubChem CID 67298802) has the molecular formula C24H32ClFN2O5 and a molecular weight of 482.98 g/mol. Its IUPAC name is 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
PubChem CID67298802
Molecular FormulaC24H32ClFN2O5
Molecular Weight482.98 g/mol
Exact Mass482.20
IUPAC Name1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1cc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc(OC)c1OC.Cl
InChIInChI=1S/C24H31FN2O5.ClH/c1-29-21-16-18(17-22(30-2)24(21)31-3)8-9-23(28)27-12-10-26(11-13-27)14-15-32-20-7-5-4-6-19(20)25;/h4-7,16-17H,8-15H2,1-3H3;1H
InChIKeyRCRUKDBFLIVRBT-UHFFFAOYSA-N
XLogP3.43
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-[4-(trifluoromethylsulfonyl)phenyl]propan-1-one
CID 67299076
(3,4-dimethoxyphenyl)-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 32577025
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110638323
2-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)acetaldehyde
CID 87612146
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 87029946
2-(4-ethoxyphenyl)-1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]ethanone
CID 110638301
[4-(2-phenoxyethyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 27846975
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 4806746
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 2683207
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110412088
3-amino-1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119839360
1-(4-pyridin-4-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 18456346

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride (CID 67298802) is 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride is COc1cc(CCC(=O)N2CCN(CCOc3ccccc3F)CC2)cc(OC)c1OC.Cl.
What is the InChIKey of 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is RCRUKDBFLIVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O5.ClH/c1-29-21-16-18(17-22(30-2)24(21)31-3)8-9-23(28)27-12-10-26(11-13-27)14-15-32-20-7-5-4-6-19(20)25;/h4-7,16-17H,8-15H2,1-3H3;1H.
What are the key properties of 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride?
1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 482.98 g/mol, XLogP of 3.43, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluorophenoxy)ethyl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 67298802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).