1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone

C19H20Cl2N2O — CID 1379354

IUPAC1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O/c1-14(24)16-3-5-17(6-4-16)23-10-8-22(9-11-23)13-15-2-7-18(20)19(21)12-15/h2-7,12H,8-11,13H2,1H3
InChIKeySCGHTACBHPYRDD-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.52
Rot. Bonds4

About 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 1379354) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID1379354
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20Cl2N2O/c1-14(24)16-3-5-17(6-4-16)23-10-8-22(9-11-23)13-15-2-7-18(20)19(21)12-15/h2-7,12H,8-11,13H2,1H3
InChIKeySCGHTACBHPYRDD-UHFFFAOYSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[(3,4-dichlorophenyl)methylsulfonyl]piperazin-1-yl]phenyl]ethanone
CID 56513255
1-[4-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1376472
1-[4-[3-[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl]indol-1-yl]phenyl]ethanone
CID 50942893
1-[4-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 2843183
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
1-[4-[4-(3-methylbut-2-enyl)piperazin-1-yl]phenyl]ethanone
CID 39975587
1-[4-[4-[(1,4-dimethylpyrazol-5-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 77087014
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
methyl 4-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]benzoate
CID 8690662
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfonylpiperazine
CID 4767728
1-[4-[4-[(Z)-2-methylbut-2-enyl]piperazin-1-yl]phenyl]ethanone
CID 783727
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone (CID 1379354) is 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is SCGHTACBHPYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c1-14(24)16-3-5-17(6-4-16)23-10-8-22(9-11-23)13-15-2-7-18(20)19(21)12-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 363.29 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 1379354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).