(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine

C11H14ClN3O2 — CID 66835625

IUPAC(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-8-7-13-4-5-14(8)11-3-2-9(15(16)17)6-10(11)12/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeySZDMFUWZPQKVAU-MRVPVSSYSA-N
MW255.70 g/mol
LogP2.05
Rot. Bonds2

About (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine

(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine (PubChem CID 66835625) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
PubChem CID66835625
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine
SMILESC[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C11H14ClN3O2/c1-8-7-13-4-5-14(8)11-3-2-9(15(16)17)6-10(11)12/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeySZDMFUWZPQKVAU-MRVPVSSYSA-N
XLogP2.05
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.05
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
2-methyl-1-(2-methylsulfonyl-5-nitrophenyl)piperazine;dihydrochloride
CID 166174854
(2R)-1-(2-chloro-4-methylphenyl)-2-methylpiperazine
CID 96808511
5-(2-chloro-4-nitrophenyl)-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208856
2-(2-chloro-4-nitrophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119471752
(2R)-2-methyl-1-(2-nitrophenyl)piperazine
CID 54528666
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
2-(2-ethylpiperazin-1-yl)-5-nitrophenol
CID 145202698
(2S)-1-(2,5-dichlorophenyl)-2-methylpiperazine
CID 11492480
2-(2-methylpiperazin-1-yl)-5-nitro-1,3-benzothiazole;hydrochloride
CID 71639524
1-(3-fluoro-2-nitrophenyl)-2-methylpiperazine
CID 62673540

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine?
The IUPAC name of (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine (CID 66835625) is (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine?
The canonical SMILES for (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine is C[C@@H]1CNCCN1c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine?
The InChIKey is SZDMFUWZPQKVAU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8-7-13-4-5-14(8)11-3-2-9(15(16)17)6-10(11)12/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine?
(2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine has a molecular weight of 255.70 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-4-nitrophenyl)-2-methylpiperazine is sourced from PubChem (CID 66835625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).