2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride

C23H30Cl2FN3O2 — CID 120736799

IUPAC2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CN(Cc2ccccc2)CCO1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C23H28FN3O2.2ClH/c24-20-8-4-7-19(13-20)22-15-25-9-10-27(22)23(28)14-21-17-26(11-12-29-21)16-18-5-2-1-3-6-18;;/h1-8,13,21-22,25H,9-12,14-17H2;2*1H
InChIKeyJTJAMPXDDRIWSB-UHFFFAOYSA-N
MW470.42 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride

2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 120736799) has the molecular formula C23H30Cl2FN3O2 and a molecular weight of 470.42 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID120736799
Molecular FormulaC23H30Cl2FN3O2
Molecular Weight470.42 g/mol
Exact Mass469.17
IUPAC Name2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CN(Cc2ccccc2)CCO1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C23H28FN3O2.2ClH/c24-20-8-4-7-19(13-20)22-15-25-9-10-27(22)23(28)14-21-17-26(11-12-29-21)16-18-5-2-1-3-6-18;;/h1-8,13,21-22,25H,9-12,14-17H2;2*1H
InChIKeyJTJAMPXDDRIWSB-UHFFFAOYSA-N
XLogP3.43
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
2-[benzyl(methyl)amino]-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120737496
2-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735998
3,4-dihydro-1H-isochromen-1-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736755
2-(1,1-dioxothiolan-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737347
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735849
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
3-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione;hydrochloride
CID 120737659
4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride (CID 120736799) is 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CC1CN(Cc2ccccc2)CCO1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is JTJAMPXDDRIWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2.2ClH/c24-20-8-4-7-19(13-20)22-15-25-9-10-27(22)23(28)14-21-17-26(11-12-29-21)16-18-5-2-1-3-6-18;;/h1-8,13,21-22,25H,9-12,14-17H2;2*1H.
What are the key properties of 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride?
2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 470.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 120736799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).