1-(2-chloro-4-nitrophenyl)-4-methylpiperazine

C11H14ClN3O2 — CID 2837294

IUPAC1-(2-chloro-4-nitrophenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C11H14ClN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
InChIKeyUFFIYCVVTWWGGH-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine

1-(2-chloro-4-nitrophenyl)-4-methylpiperazine (PubChem CID 2837294) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-chloro-4-nitrophenyl)-4-methylpiperazine
PubChem CID2837294
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-(2-chloro-4-nitrophenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
InChIInChI=1S/C11H14ClN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3
InChIKeyUFFIYCVVTWWGGH-UHFFFAOYSA-N
XLogP2.00
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine (CID 2837294) is 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine is CN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine?
The InChIKey is UFFIYCVVTWWGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-13-4-6-14(7-5-13)11-3-2-9(15(16)17)8-10(11)12/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine?
1-(2-chloro-4-nitrophenyl)-4-methylpiperazine has a molecular weight of 255.70 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-nitrophenyl)-4-methylpiperazine is sourced from PubChem (CID 2837294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).