1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine

C17H17Cl2N3O2 — CID 1067939

IUPAC1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-10-16(22(23)24)4-5-17(13)19/h1-5,10-11H,6-9,12H2
InChIKeyUDYRAJKAHPAFJL-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.22
Rot. Bonds4

About 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine

1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine (PubChem CID 1067939) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine
PubChem CID1067939
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine
SMILESO=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C17H17Cl2N3O2/c18-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-10-16(22(23)24)4-5-17(13)19/h1-5,10-11H,6-9,12H2
InChIKeyUDYRAJKAHPAFJL-UHFFFAOYSA-N
XLogP4.22
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(2-chloro-5-nitrophenyl)methyl]-4-(4-nitrophenyl)piperazine
CID 2838664
1-[(2-chloro-5-nitrophenyl)methyl]piperidine
CID 43350269
1-[(2-chloro-5-nitrophenyl)methyl]-4-methyl-1,4-diazepane
CID 2838717
1-[(2-chloro-5-nitrophenyl)methyl]-4,4-difluoropiperidine
CID 171365172
1-[(2-methoxy-5-nitrophenyl)methyl]-4-(3-methoxyphenyl)piperazine
CID 38124721
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
1-(3-chlorophenyl)-4-[(3-nitrophenyl)methyl]piperazin-4-ium
CID 6939997
1-[(2-chlorophenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
CID 5093015
2-[4-(3-nitrophenyl)piperazin-1-yl]acetonitrile
CID 22330152
1-[(3-nitrophenyl)methyl]-4-phenylpiperazine
CID 765516
1-[(3-chlorophenyl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine
CID 1343020
1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(3-nitrophenyl)piperazine
CID 112828801

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine (CID 1067939) is 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine is O=[N+]([O-])c1ccc(Cl)c(CN2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine?
The InChIKey is UDYRAJKAHPAFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-14-2-1-3-15(11-14)21-8-6-20(7-9-21)12-13-10-16(22(23)24)4-5-17(13)19/h1-5,10-11H,6-9,12H2.
What are the key properties of 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine?
1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine has a molecular weight of 366.25 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-nitrophenyl)methyl]-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 1067939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).