1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine

C12H17N3O2 — CID 93464471

IUPAC1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
SMILESC[C@H](c1ccccc1[N+](=O)[O-])N1CCNCC1
InChIInChI=1S/C12H17N3O2/c1-10(14-8-6-13-7-9-14)11-4-2-3-5-12(11)15(16)17/h2-5,10,13H,6-9H2,1H3/t10-/m1/s1
InChIKeyAURLONIVMOVYTO-SNVBAGLBSA-N
MW235.29 g/mol
LogP1.56
Rot. Bonds3

About 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine

1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine (PubChem CID 93464471) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
PubChem CID93464471
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine
SMILESC[C@H](c1ccccc1[N+](=O)[O-])N1CCNCC1
InChIInChI=1S/C12H17N3O2/c1-10(14-8-6-13-7-9-14)11-4-2-3-5-12(11)15(16)17/h2-5,10,13H,6-9H2,1H3/t10-/m1/s1
InChIKeyAURLONIVMOVYTO-SNVBAGLBSA-N
XLogP1.56
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.56
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-[1-[1-(2-nitrophenyl)ethyl]azetidin-3-yl]piperazine
CID 66201068
1-[(1R)-2-methyl-1-(2-nitrophenyl)butyl]piperazine
CID 171304232
1-[(1S)-1-(4-fluoro-2-nitrophenyl)ethyl]piperazine
CID 171278173
1-[(1R)-2-methyl-1-(2-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304233
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine
CID 171285254
1-[(R)-cyclopropyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171285255
1-[(S)-cyclobutyl-(2-nitrophenyl)methyl]piperazine
CID 171272628
1-[(S)-cyclopentyl-(2-nitrophenyl)methyl]piperazine;dihydrochloride
CID 171272631
1-[(1S)-2-cyclopropyl-1-(2-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171272643
1-[(S)-(2-nitrophenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171272637
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
4-bromo-2-nitro-6-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171295805

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine (CID 93464471) is 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine is C[C@H](c1ccccc1[N+](=O)[O-])N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine?
The InChIKey is AURLONIVMOVYTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-10(14-8-6-13-7-9-14)11-4-2-3-5-12(11)15(16)17/h2-5,10,13H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine?
1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine has a molecular weight of 235.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-nitrophenyl)ethyl]piperazine is sourced from PubChem (CID 93464471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).