1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride

C19H20Cl2F2N2O — CID 120739331

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1cc(F)ccc1F)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClF2N2O.ClH/c20-16-4-2-1-3-15(16)18-12-23-9-10-24(18)19(25)8-5-13-11-14(21)6-7-17(13)22;/h1-4,6-7,11,18,23H,5,8-10,12H2;1H
InChIKeyQFDTWUABOCHHIK-UHFFFAOYSA-N
MW401.28 g/mol
LogP4.15
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride (PubChem CID 120739331) has the molecular formula C19H20Cl2F2N2O and a molecular weight of 401.28 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
PubChem CID120739331
Molecular FormulaC19H20Cl2F2N2O
Molecular Weight401.28 g/mol
Exact Mass400.09
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride
SMILESCl.O=C(CCc1cc(F)ccc1F)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClF2N2O.ClH/c20-16-4-2-1-3-15(16)18-12-23-9-10-24(18)19(25)8-5-13-11-14(21)6-7-17(13)22;/h1-4,6-7,11,18,23H,5,8-10,12H2;1H
InChIKeyQFDTWUABOCHHIK-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone;hydrochloride
CID 120739203
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone;hydrochloride
CID 120739679
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1H-1,2,4-triazol-5-yl)propan-1-one
CID 120738786
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(1,3-thiazol-4-yl)propan-1-one
CID 120738339

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride (CID 120739331) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride is Cl.O=C(CCc1cc(F)ccc1F)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride?
The InChIKey is QFDTWUABOCHHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O.ClH/c20-16-4-2-1-3-15(16)18-12-23-9-10-24(18)19(25)8-5-13-11-14(21)6-7-17(13)22;/h1-4,6-7,11,18,23H,5,8-10,12H2;1H.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride has a molecular weight of 401.28 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(2,5-difluorophenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 120739331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).