2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine

C15H23N3O2 — CID 64979070

IUPAC2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
SMILESCCC1CN(c2ccc(C)cc2[N+](=O)[O-])C(CC)CN1
InChIInChI=1S/C15H23N3O2/c1-4-12-10-17(13(5-2)9-16-12)14-7-6-11(3)8-15(14)18(19)20/h6-8,12-13,16H,4-5,9-10H2,1-3H3
InChIKeyHIKHCOILRFKMBO-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.87
Rot. Bonds4

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

2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine (PubChem CID 64979070) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine.

Molecular Properties

Compound Name2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
PubChem CID64979070
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine
SMILESCCC1CN(c2ccc(C)cc2[N+](=O)[O-])C(CC)CN1
InChIInChI=1S/C15H23N3O2/c1-4-12-10-17(13(5-2)9-16-12)14-7-6-11(3)8-15(14)18(19)20/h6-8,12-13,16H,4-5,9-10H2,1-3H3
InChIKeyHIKHCOILRFKMBO-UHFFFAOYSA-N
XLogP2.87
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.87
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-(2-chloro-4-nitrophenyl)-2,5-diethylpiperazine
CID 64979124
2-(2,5-diethylpiperazin-1-yl)-5-nitrobenzonitrile
CID 64979182
1-(3-chloro-2-nitrophenyl)-2,5-diethylpiperazine
CID 104839384
2,5-diethyl-1-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 64979048
1-(2-bromo-5-methylphenyl)-2-ethyl-5-propylpiperazine
CID 82758286
1-(4-chloro-2-iodophenyl)-2,5-diethylpiperazine
CID 107640027
1-[(5-chloro-2-nitrophenyl)methyl]-2,5-diethylpiperazine
CID 79556979
2-ethyl-1-(2-methoxy-5-methylphenyl)-5-propylpiperazine
CID 64931773
2,5-diethyl-1-naphthalen-1-ylpiperazine
CID 64931957
2,5-diethyl-1-(5-methyl-3-pyridinyl)piperazine
CID 107586938
1-(5-chloro-2-methoxyphenyl)-2,5-diethylpiperazine
CID 64933713
2-[1-(4-methyl-2-nitrophenyl)azetidin-3-yl]acetic acid
CID 64616650

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine?
The IUPAC name of 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine (CID 64979070) is 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine.
What is the SMILES notation for 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine?
The canonical SMILES for 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine is CCC1CN(c2ccc(C)cc2[N+](=O)[O-])C(CC)CN1.
What is the InChIKey of 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine?
The InChIKey is HIKHCOILRFKMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-12-10-17(13(5-2)9-16-12)14-7-6-11(3)8-15(14)18(19)20/h6-8,12-13,16H,4-5,9-10H2,1-3H3.
What are the key properties of 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine?
2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine has a molecular weight of 277.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(4-methyl-2-nitrophenyl)piperazine is sourced from PubChem (CID 64979070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).