3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride

C20H23ClF2N2O — CID 120736221

IUPAC3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCNCC1c1cccc(F)c1)c1ccccc1F.Cl
InChIInChI=1S/C20H22F2N2O.ClH/c1-14(17-7-2-3-8-18(17)22)11-20(25)24-10-9-23-13-19(24)15-5-4-6-16(21)12-15;/h2-8,12,14,19,23H,9-11,13H2,1H3;1H
InChIKeyGZPZQWOTLCLOBZ-UHFFFAOYSA-N
MW380.87 g/mol
LogP4.05
Rot. Bonds4

About 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride

3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride (PubChem CID 120736221) has the molecular formula C20H23ClF2N2O and a molecular weight of 380.87 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
PubChem CID120736221
Molecular FormulaC20H23ClF2N2O
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCNCC1c1cccc(F)c1)c1ccccc1F.Cl
InChIInChI=1S/C20H22F2N2O.ClH/c1-14(17-7-2-3-8-18(17)22)11-20(25)24-10-9-23-13-19(24)15-5-4-6-16(21)12-15;/h2-8,12,14,19,23H,9-11,13H2,1H3;1H
InChIKeyGZPZQWOTLCLOBZ-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 120736192
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methoxyphenyl)butan-1-one;hydrochloride
CID 120736855
4,4,4-trifluoro-1-[2-(3-fluorophenyl)piperazin-1-yl]-3-phenylbutan-1-one
CID 120736228
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 120737290
3-(3,5-dimethylpyrazol-1-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 120736457
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide;hydrochloride
CID 120737437
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
2-(3-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 120735900
3-(2-fluorophenyl)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403904
N-[2-[2-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide
CID 120736914

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride (CID 120736221) is 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride is CC(CC(=O)N1CCNCC1c1cccc(F)c1)c1ccccc1F.Cl.
What is the InChIKey of 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride?
The InChIKey is GZPZQWOTLCLOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O.ClH/c1-14(17-7-2-3-8-18(17)22)11-20(25)24-10-9-23-13-19(24)15-5-4-6-16(21)12-15;/h2-8,12,14,19,23H,9-11,13H2,1H3;1H.
What are the key properties of 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride?
3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride has a molecular weight of 380.87 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[2-(3-fluorophenyl)piperazin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 120736221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).