3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane

C20H24Cl4N2O — CID 143237932

IUPAC3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane
SMILESCC.CCl.O=C(Cl)N1CCN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl3N2O.C2H6.CH3Cl/c18-13-3-1-12(2-4-13)16-11-21(17(20)23)9-10-22(16)15-7-5-14(19)6-8-15;2*1-2/h1-8,16H,9-11H2;1-2H3;1H3
InChIKeyUEFGNFCPLPFELE-UHFFFAOYSA-N
MW450.24 g/mol
LogP7.10
Rot. Bonds2

About 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane

3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane (PubChem CID 143237932) has the molecular formula C20H24Cl4N2O and a molecular weight of 450.24 g/mol. Its IUPAC name is 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane.

Molecular Properties

Compound Name3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane
PubChem CID143237932
Molecular FormulaC20H24Cl4N2O
Molecular Weight450.24 g/mol
Exact Mass448.06
IUPAC Name3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane
SMILESCC.CCl.O=C(Cl)N1CCN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H15Cl3N2O.C2H6.CH3Cl/c18-13-3-1-12(2-4-13)16-11-21(17(20)23)9-10-22(16)15-7-5-14(19)6-8-15;2*1-2/h1-8,16H,9-11H2;1-2H3;1H3
InChIKeyUEFGNFCPLPFELE-UHFFFAOYSA-N
XLogP7.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.24
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(4-bromophenyl)-4-(4-chlorophenyl)piperazine-1-carboxylate
CID 68934467
tert-butyl 3,4-bis[4-(cyanomethyl)phenyl]piperazine-1-carboxylate
CID 175132846
1-[4-(2-chloro-4-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 143237547
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 59261899
1-[2-(4-chlorophenyl)azetidin-1-yl]ethanone
CID 126758652
(2S)-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261610
2-amino-1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-methylbut-3-en-1-one
CID 163978720
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 59261926
[4-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 143237619
tert-butyl (2R)-1-(4-chlorophenyl)aziridine-2-carboxylate
CID 11149464
1-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]-3-methyl-2-phenylbutan-1-one
CID 59262015

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane?
The IUPAC name of 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane (CID 143237932) is 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane.
What is the SMILES notation for 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane?
The canonical SMILES for 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane is CC.CCl.O=C(Cl)N1CCN(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane?
The InChIKey is UEFGNFCPLPFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl3N2O.C2H6.CH3Cl/c18-13-3-1-12(2-4-13)16-11-21(17(20)23)9-10-22(16)15-7-5-14(19)6-8-15;2*1-2/h1-8,16H,9-11H2;1-2H3;1H3.
What are the key properties of 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane?
3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane has a molecular weight of 450.24 g/mol, XLogP of 7.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-chlorophenyl)piperazine-1-carbonyl chloride;chloromethane;ethane is sourced from PubChem (CID 143237932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).