(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine

C11H14ClN3O2 — CID 7070876

IUPAC(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1
InChIInChI=1S/C11H14ClN3O2/c1-8-7-14(5-4-13-8)10-3-2-9(12)6-11(10)15(16)17/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyGIRKMKZFBUAZMN-MRVPVSSYSA-N
MW255.70 g/mol
LogP2.05
Rot. Bonds2

About (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine

(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine (PubChem CID 7070876) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine
PubChem CID7070876
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1
InChIInChI=1S/C11H14ClN3O2/c1-8-7-14(5-4-13-8)10-3-2-9(12)6-11(10)15(16)17/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyGIRKMKZFBUAZMN-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

4-(3-methylpiperazin-1-yl)-3-nitrobenzonitrile
CID 62478922
(3R)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
CID 7225561
(3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazin-4-ium
CID 7070875
(3S)-1-(2,4-dichlorophenyl)-3-methylpiperazine
CID 24763526
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844
1-(4-chloro-2-nitrophenyl)-4-methylpiperidin-3-ol
CID 103896080
(3R)-1-(4-fluoro-5-methyl-2-nitrophenyl)-3-methylpiperazine
CID 103594274
(3R)-1-[(4-chloro-2-nitrophenyl)methyl]-3-methylpiperazine
CID 104975926
(3S)-3-methyl-1-(5-methyl-2-nitrophenyl)piperazine
CID 104977584
3-(4-chloro-2-nitrophenyl)-3,9-diazabicyclo[4.2.1]nonane
CID 115314766
1-(5-fluoro-4-iodo-2-nitrophenyl)-3-methylpiperazine
CID 66086754
(4-chloro-2-nitrophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427493

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine (CID 7070876) is (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine is C[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CCN1.
What is the InChIKey of (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine?
The InChIKey is GIRKMKZFBUAZMN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-8-7-14(5-4-13-8)10-3-2-9(12)6-11(10)15(16)17/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine?
(3R)-1-(4-chloro-2-nitrophenyl)-3-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 (3R)-1-(4-chloro-2-nitrophenyl)-3-methylpiperazine is sourced from PubChem (CID 7070876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).