(2R)-2-(4-methyl-3-nitrophenyl)piperazine

C11H15N3O2 — CID 171194425

IUPAC(2R)-2-(4-methyl-3-nitrophenyl)piperazine
SMILESCc1ccc([C@@H]2CNCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-8-2-3-9(6-11(8)14(15)16)10-7-12-4-5-13-10/h2-3,6,10,12-13H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyRTRGNKQLXSFCEP-JTQLQIEISA-N
MW221.26 g/mol
LogP1.14
Rot. Bonds2

About (2R)-2-(4-methyl-3-nitrophenyl)piperazine

(2R)-2-(4-methyl-3-nitrophenyl)piperazine (PubChem CID 171194425) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2R)-2-(4-methyl-3-nitrophenyl)piperazine.

Molecular Properties

Compound Name(2R)-2-(4-methyl-3-nitrophenyl)piperazine
PubChem CID171194425
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2R)-2-(4-methyl-3-nitrophenyl)piperazine
SMILESCc1ccc([C@@H]2CNCCN2)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-8-2-3-9(6-11(8)14(15)16)10-7-12-4-5-13-10/h2-3,6,10,12-13H,4-5,7H2,1H3/t10-/m0/s1
InChIKeyRTRGNKQLXSFCEP-JTQLQIEISA-N
XLogP1.14
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

(2S)-2-(4-methyl-3-nitrophenyl)piperazine;hydrochloride
CID 171193790
(2R)-2-(4-methyl-3-nitrophenyl)pyrrolidine
CID 66518975
(2S)-2-(4-methoxy-3-nitrophenyl)piperazine;hydrochloride
CID 171193664
3-nitro-5-[(2R)-piperazin-2-yl]benzene-1,2-diol
CID 171194223
ethyl 3-(2-nitro-4-piperazin-2-ylphenyl)prop-2-enoate;hydrochloride
CID 70534670
(2S)-2-(3-methyl-4-nitrophenyl)azetidine
CID 130744358
2-(3-methyl-4-nitrophenyl)azetidine
CID 130043332
2-(4-nitrophenyl)piperazine;oxalic acid
CID 66712778
(4S)-4-(4-methyl-3-nitrophenyl)-1,3-oxazinan-2-one
CID 171185750
3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
2-(4-methyl-3-nitrophenyl)oxirane
CID 22499237
4-[(2S)-aziridin-2-yl]-2-nitrophenol
CID 55263727

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methyl-3-nitrophenyl)piperazine?
The IUPAC name of (2R)-2-(4-methyl-3-nitrophenyl)piperazine (CID 171194425) is (2R)-2-(4-methyl-3-nitrophenyl)piperazine.
What is the SMILES notation for (2R)-2-(4-methyl-3-nitrophenyl)piperazine?
The canonical SMILES for (2R)-2-(4-methyl-3-nitrophenyl)piperazine is Cc1ccc([C@@H]2CNCCN2)cc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-(4-methyl-3-nitrophenyl)piperazine?
The InChIKey is RTRGNKQLXSFCEP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-2-3-9(6-11(8)14(15)16)10-7-12-4-5-13-10/h2-3,6,10,12-13H,4-5,7H2,1H3/t10-/m0/s1.
What are the key properties of (2R)-2-(4-methyl-3-nitrophenyl)piperazine?
(2R)-2-(4-methyl-3-nitrophenyl)piperazine has a molecular weight of 221.26 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methyl-3-nitrophenyl)piperazine is sourced from PubChem (CID 171194425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).