2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine

C14H21N3O2 — CID 120906202

IUPAC2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine
SMILESCc1ccc(CN2CC(C)NCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-4-5-13(6-14(10)17(18)19)9-16-8-11(2)15-7-12(16)3/h4-6,11-12,15H,7-9H2,1-3H3
InChIKeyRFBLXZOAUZPPIG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds3

About 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine

2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine (PubChem CID 120906202) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine
PubChem CID120906202
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine
SMILESCc1ccc(CN2CC(C)NCC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-4-5-13(6-14(10)17(18)19)9-16-8-11(2)15-7-12(16)3/h4-6,11-12,15H,7-9H2,1-3H3
InChIKeyRFBLXZOAUZPPIG-UHFFFAOYSA-N
XLogP2.09
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
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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Related Compounds

1-[(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylpiperazine;hydrochloride
CID 120906434
1-[(3-methoxy-5-nitrophenyl)methyl]-2,5-dimethylpiperazine
CID 81154820
1-[(3,5-dimethylphenyl)methyl]-2,5-dimethylpiperazine
CID 64844873
(2S,5R)-1-benzyl-2,5-dimethylpiperazine
CID 23402345
(2R,5S)-1-[(3-chlorophenyl)methyl]-2,5-dimethylpiperazine
CID 71174749
1-[(3,4-dimethylphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64844500
(2S)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpiperazine
CID 82714108
1-[(4-methyl-3-nitrophenyl)methyl]pyrrole-2,5-dione
CID 102248981
N-[4-[(2,5-dimethylpiperazin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 120905888
2-(2,5-dimethylpiperazin-1-yl)-N-(2-nitrophenyl)acetamide
CID 64980475
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperazine
CID 113335445
1-[1-[(4-methyl-3-nitrophenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968332

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine (CID 120906202) is 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine is Cc1ccc(CN2CC(C)NCC2C)cc1[N+](=O)[O-].
What is the InChIKey of 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine?
The InChIKey is RFBLXZOAUZPPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-4-5-13(6-14(10)17(18)19)9-16-8-11(2)15-7-12(16)3/h4-6,11-12,15H,7-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine?
2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine has a molecular weight of 263.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(4-methyl-3-nitrophenyl)methyl]piperazine is sourced from PubChem (CID 120906202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).