(2R)-2-methyl-1-(2-nitrophenyl)piperazine

C11H15N3O2 — CID 54528666

IUPAC(2R)-2-methyl-1-(2-nitrophenyl)piperazine
SMILESC[C@@H]1CNCCN1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-9-8-12-6-7-13(9)10-4-2-3-5-11(10)14(15)16/h2-5,9,12H,6-8H2,1H3/t9-/m1/s1
InChIKeyYUYFTFHUUJEVSV-SECBINFHSA-N
MW221.26 g/mol
LogP1.39
Rot. Bonds2

About (2R)-2-methyl-1-(2-nitrophenyl)piperazine

(2R)-2-methyl-1-(2-nitrophenyl)piperazine (PubChem CID 54528666) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2R)-2-methyl-1-(2-nitrophenyl)piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(2-nitrophenyl)piperazine
PubChem CID54528666
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(2R)-2-methyl-1-(2-nitrophenyl)piperazine
SMILESC[C@@H]1CNCCN1c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O2/c1-9-8-12-6-7-13(9)10-4-2-3-5-11(10)14(15)16/h2-5,9,12H,6-8H2,1H3/t9-/m1/s1
InChIKeyYUYFTFHUUJEVSV-SECBINFHSA-N
XLogP1.39
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.39
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

(2R)-1-(2,4-dinitrophenyl)-2-methylpiperazine
CID 94546231
1-(4-chloro-2-nitrophenyl)-2-methylpiperazine
CID 62672836
1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
CID 62673540
(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
CID 66835625
1-(3-methoxy-4-nitrophenyl)-2-methylpiperazine
CID 63671862
2-(2-methylpiperazin-1-yl)benzamide
CID 22411270
1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine
CID 66202975
2-methyl-1-(2-methylsulfonyl-5-nitrophenyl)piperazine;dihydrochloride
CID 166174854
methyl 2-[(2R)-2-methylpiperazin-1-yl]benzoate
CID 45072841
(2R)-2-methyl-1-(2-nitrophenyl)sulfonyl-1,4-diazepane;hydrochloride
CID 162393948
(2R)-2-methyl-1-(6-nitro-3-pyridinyl)piperazine
CID 94546157
1-[2-(difluoromethylsulfonyl)phenyl]-2-methylpiperazine
CID 55104398

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(2-nitrophenyl)piperazine?
The IUPAC name of (2R)-2-methyl-1-(2-nitrophenyl)piperazine (CID 54528666) is (2R)-2-methyl-1-(2-nitrophenyl)piperazine.
What is the SMILES notation for (2R)-2-methyl-1-(2-nitrophenyl)piperazine?
The canonical SMILES for (2R)-2-methyl-1-(2-nitrophenyl)piperazine is C[C@@H]1CNCCN1c1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-2-methyl-1-(2-nitrophenyl)piperazine?
The InChIKey is YUYFTFHUUJEVSV-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9-8-12-6-7-13(9)10-4-2-3-5-11(10)14(15)16/h2-5,9,12H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(2-nitrophenyl)piperazine?
(2R)-2-methyl-1-(2-nitrophenyl)piperazine has a molecular weight of 221.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(2-nitrophenyl)piperazine is sourced from PubChem (CID 54528666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).