1-(2-chloro-3-nitrophenyl)piperazine

C10H12ClN3O2 — CID 20644619

IUPAC1-(2-chloro-3-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cccc(N2CCNCC2)c1Cl
InChIInChI=1S/C10H12ClN3O2/c11-10-8(13-6-4-12-5-7-13)2-1-3-9(10)14(15)16/h1-3,12H,4-7H2
InChIKeyNZXNINGJUOKUNK-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.66
Rot. Bonds2

About 1-(2-chloro-3-nitrophenyl)piperazine

1-(2-chloro-3-nitrophenyl)piperazine (PubChem CID 20644619) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-(2-chloro-3-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(2-chloro-3-nitrophenyl)piperazine
PubChem CID20644619
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name1-(2-chloro-3-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1cccc(N2CCNCC2)c1Cl
InChIInChI=1S/C10H12ClN3O2/c11-10-8(13-6-4-12-5-7-13)2-1-3-9(10)14(15)16/h1-3,12H,4-7H2
InChIKeyNZXNINGJUOKUNK-UHFFFAOYSA-N
XLogP1.66
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.66
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-(2-nitro-6-piperazin-1-ylphenyl)ethanone
CID 126662095
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
1-(2,5-dichloro-4-nitrophenyl)piperazine
CID 165124690
1-[2,4-dinitro-5-(1,4,7,10-tetrazacyclododec-1-yl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 11713183
1-(4-fluoro-2-nitrophenyl)piperazine
CID 2737435
1-(4-chloro-3-nitrophenyl)piperazine
CID 4738747
2-chloro-6-piperazin-1-ylphenol
CID 131297949
1-(2-chlorophenyl)piperazine
CID 162116490
4-nitro-3-piperazin-1-ylbenzaldehyde
CID 175320617
1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine
CID 66202975
4-nitro-3-piperazin-1-ylbenzonitrile
CID 112694733
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-nitrophenyl)piperazine?
The IUPAC name of 1-(2-chloro-3-nitrophenyl)piperazine (CID 20644619) is 1-(2-chloro-3-nitrophenyl)piperazine.
What is the SMILES notation for 1-(2-chloro-3-nitrophenyl)piperazine?
The canonical SMILES for 1-(2-chloro-3-nitrophenyl)piperazine is O=[N+]([O-])c1cccc(N2CCNCC2)c1Cl.
What is the InChIKey of 1-(2-chloro-3-nitrophenyl)piperazine?
The InChIKey is NZXNINGJUOKUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-10-8(13-6-4-12-5-7-13)2-1-3-9(10)14(15)16/h1-3,12H,4-7H2.
What are the key properties of 1-(2-chloro-3-nitrophenyl)piperazine?
1-(2-chloro-3-nitrophenyl)piperazine has a molecular weight of 241.68 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-nitrophenyl)piperazine is sourced from PubChem (CID 20644619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).