(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

C19H22ClFN2O3 — CID 120736417

IUPAC(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)c(OC)c1.Cl
InChIInChI=1S/C19H21FN2O3.ClH/c1-24-15-6-7-16(18(11-15)25-2)19(23)22-9-8-21-12-17(22)13-4-3-5-14(20)10-13;/h3-7,10-11,17,21H,8-9,12H2,1-2H3;1H
InChIKeyVEBBTANBJMQTLB-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.05
Rot. Bonds4

About (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride

(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120736417) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120736417
Molecular FormulaC19H22ClFN2O3
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC Name(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCOc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)c(OC)c1.Cl
InChIInChI=1S/C19H21FN2O3.ClH/c1-24-15-6-7-16(18(11-15)25-2)19(23)22-9-8-21-12-17(22)13-4-3-5-14(20)10-13;/h3-7,10-11,17,21H,8-9,12H2,1-2H3;1H
InChIKeyVEBBTANBJMQTLB-UHFFFAOYSA-N
XLogP3.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733692
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 120736388
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
(2-methoxyphenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 95001107
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 120735703
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone;hydrochloride
CID 120737341
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120736855
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
1-[2-(3-fluorophenyl)piperazin-1-yl]-5-(4-methoxyphenyl)pentane-1,5-dione
CID 120737260

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride (CID 120736417) is (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is COc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)c(OC)c1.Cl.
What is the InChIKey of (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is VEBBTANBJMQTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3.ClH/c1-24-15-6-7-16(18(11-15)25-2)19(23)22-9-8-21-12-17(22)13-4-3-5-14(20)10-13;/h3-7,10-11,17,21H,8-9,12H2,1-2H3;1H.
What are the key properties of (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride?
(2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 380.85 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120736417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).