1-(3-nitrophenyl)piperazine;hydrochloride

C10H14ClN3O2 — CID 2760215

IUPAC1-(3-nitrophenyl)piperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13N3O2.ClH/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12;/h1-3,8,11H,4-7H2;1H
InChIKeyVFTSNUZGFRTULB-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.43
Rot. Bonds2

About 1-(3-nitrophenyl)piperazine;hydrochloride

1-(3-nitrophenyl)piperazine;hydrochloride (PubChem CID 2760215) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(3-nitrophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-nitrophenyl)piperazine;hydrochloride
PubChem CID2760215
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name1-(3-nitrophenyl)piperazine;hydrochloride
SMILESCl.O=[N+]([O-])c1cccc(N2CCNCC2)c1
InChIInChI=1S/C10H13N3O2.ClH/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12;/h1-3,8,11H,4-7H2;1H
InChIKeyVFTSNUZGFRTULB-UHFFFAOYSA-N
XLogP1.43
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.43
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-(3-nitrophenyl)piperazine
CID 2760216
1-(3-nitrophenyl)azetidine
CID 58663764
1-(3-nitrophenyl)pyrrolidine
CID 698267
1-methyl-4-(3-nitrophenyl)piperazine;dihydrochloride
CID 77068306
1-[4-(3-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 119858368
N,N-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 59597620
2-(3-nitrophenyl)-1,3-dihydroisoindole
CID 698272
[4-(3-nitrophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119858316
3,5-dimethyl-1-(3-nitrophenyl)piperazine
CID 55091283
3-morpholin-4-ylaniline;4-(3-nitrophenyl)morpholine
CID 159730458
N,4-dimethyl-1-(3-nitrophenyl)piperidin-4-amine
CID 113283121
2-[4-(3-nitrophenyl)piperazin-1-yl]acetonitrile
CID 22330152

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-nitrophenyl)piperazine;hydrochloride (CID 2760215) is 1-(3-nitrophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-nitrophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-nitrophenyl)piperazine;hydrochloride is Cl.O=[N+]([O-])c1cccc(N2CCNCC2)c1.
What is the InChIKey of 1-(3-nitrophenyl)piperazine;hydrochloride?
The InChIKey is VFTSNUZGFRTULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.ClH/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12;/h1-3,8,11H,4-7H2;1H.
What are the key properties of 1-(3-nitrophenyl)piperazine;hydrochloride?
1-(3-nitrophenyl)piperazine;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)piperazine;hydrochloride is sourced from PubChem (CID 2760215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).