1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine

C14H21N3O2 — CID 75440705

IUPAC1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine
SMILESCc1cc(N2CC(C)N(C)CC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-7-13(5-6-14(10)17(18)19)16-9-11(2)15(4)8-12(16)3/h5-7,11-12H,8-9H2,1-4H3
InChIKeyBPAKWQSJSPNXLU-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds2

About 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine

1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine (PubChem CID 75440705) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine.

Molecular Properties

Compound Name1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine
PubChem CID75440705
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine
SMILESCc1cc(N2CC(C)N(C)CC2C)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-10-7-13(5-6-14(10)17(18)19)16-9-11(2)15(4)8-12(16)3/h5-7,11-12H,8-9H2,1-4H3
InChIKeyBPAKWQSJSPNXLU-UHFFFAOYSA-N
XLogP2.43
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine?
The IUPAC name of 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine (CID 75440705) is 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine.
What is the SMILES notation for 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine?
The canonical SMILES for 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine is Cc1cc(N2CC(C)N(C)CC2C)ccc1[N+](=O)[O-].
What is the InChIKey of 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine?
The InChIKey is BPAKWQSJSPNXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-7-13(5-6-14(10)17(18)19)16-9-11(2)15(4)8-12(16)3/h5-7,11-12H,8-9H2,1-4H3.
What are the key properties of 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine?
1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine has a molecular weight of 263.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-4-(3-methyl-4-nitrophenyl)piperazine is sourced from PubChem (CID 75440705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).