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

C11H14ClN3O2 — CID 62672836

IUPAC1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O2/c1-8-7-13-4-5-14(8)10-3-2-9(12)6-11(10)15(16)17/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyVVJQFNOFIFJQEA-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.05
Rot. Bonds2

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

1-(4-chloro-2-nitrophenyl)-2-methylpiperazine (PubChem CID 62672836) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
PubChem CID62672836
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
SMILESCC1CNCCN1c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14ClN3O2/c1-8-7-13-4-5-14(8)10-3-2-9(12)6-11(10)15(16)17/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyVVJQFNOFIFJQEA-UHFFFAOYSA-N
XLogP2.05
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.05
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine?
The IUPAC name of 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine (CID 62672836) is 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine.
What is the SMILES notation for 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine?
The canonical SMILES for 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine is CC1CNCCN1c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine?
The InChIKey is VVJQFNOFIFJQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8-7-13-4-5-14(8)10-3-2-9(12)6-11(10)15(16)17/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine?
1-(4-chloro-2-nitrophenyl)-2-methylpiperazine has a molecular weight of 255.70 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-nitrophenyl)-2-methylpiperazine is sourced from PubChem (CID 62672836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).