1,4-bis(4-chloro-2-nitrophenyl)piperazine

C16H14Cl2N4O4 — CID 3930844

IUPAC1,4-bis(4-chloro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H14Cl2N4O4/c17-11-1-3-13(15(9-11)21(23)24)19-5-7-20(8-6-19)14-4-2-12(18)10-16(14)22(25)26/h1-4,9-10H,5-8H2
InChIKeyUKUCBMWYUCNABO-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.14
Rot. Bonds4

About 1,4-bis(4-chloro-2-nitrophenyl)piperazine

1,4-bis(4-chloro-2-nitrophenyl)piperazine (PubChem CID 3930844) has the molecular formula C16H14Cl2N4O4 and a molecular weight of 397.22 g/mol. Its IUPAC name is 1,4-bis(4-chloro-2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1,4-bis(4-chloro-2-nitrophenyl)piperazine
PubChem CID3930844
Molecular FormulaC16H14Cl2N4O4
Molecular Weight397.22 g/mol
Exact Mass396.04
IUPAC Name1,4-bis(4-chloro-2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C16H14Cl2N4O4/c17-11-1-3-13(15(9-11)21(23)24)19-5-7-20(8-6-19)14-4-2-12(18)10-16(14)22(25)26/h1-4,9-10H,5-8H2
InChIKeyUKUCBMWYUCNABO-UHFFFAOYSA-N
XLogP4.14
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(4-chloro-2-nitrophenyl)-1,4-diazepane
CID 3094079
1-(4-chloro-2-nitrophenyl)piperidine
CID 160686778
4-(4-chloro-2-nitrophenyl)thiomorpholine
CID 2798454
1-(4-chloro-2-nitrophenyl)-4-ethylpiperazine
CID 50879402
1-(4-chloro-2-nitrophenyl)-4-methyl-1,4-diazepane
CID 162442759
1-(4-chloro-2-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2885451
1-(4-chloro-2-nitrophenyl)-1,4-diazepan-4-ium
CID 5055951
1-(4-chloro-2-nitrophenyl)piperidine-4-carboxylic acid
CID 19624576
1-(4-chloro-2-nitrophenyl)-4-methylsulfonyl-1,4-diazepane
CID 134038762
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]ethanol
CID 7059996
1-(4-chloro-2-nitrophenyl)-4-cyclohexyloxypiperidine
CID 133278276
1-adamantyl-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methanone
CID 27808527

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-chloro-2-nitrophenyl)piperazine?
The IUPAC name of 1,4-bis(4-chloro-2-nitrophenyl)piperazine (CID 3930844) is 1,4-bis(4-chloro-2-nitrophenyl)piperazine.
What is the SMILES notation for 1,4-bis(4-chloro-2-nitrophenyl)piperazine?
The canonical SMILES for 1,4-bis(4-chloro-2-nitrophenyl)piperazine is O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1,4-bis(4-chloro-2-nitrophenyl)piperazine?
The InChIKey is UKUCBMWYUCNABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O4/c17-11-1-3-13(15(9-11)21(23)24)19-5-7-20(8-6-19)14-4-2-12(18)10-16(14)22(25)26/h1-4,9-10H,5-8H2.
What are the key properties of 1,4-bis(4-chloro-2-nitrophenyl)piperazine?
1,4-bis(4-chloro-2-nitrophenyl)piperazine has a molecular weight of 397.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-chloro-2-nitrophenyl)piperazine is sourced from PubChem (CID 3930844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).