1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine

C13H18N4O2 — CID 66202975

IUPAC1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccccc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H18N4O2/c18-17(19)13-4-2-1-3-12(13)16-7-5-15(6-8-16)11-9-14-10-11/h1-4,11,14H,5-10H2
InChIKeyNAKYEWZXKNZCED-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.69
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine

1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine (PubChem CID 66202975) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine
PubChem CID66202975
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine
SMILESO=[N+]([O-])c1ccccc1N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H18N4O2/c18-17(19)13-4-2-1-3-12(13)16-7-5-15(6-8-16)11-9-14-10-11/h1-4,11,14H,5-10H2
InChIKeyNAKYEWZXKNZCED-UHFFFAOYSA-N
XLogP0.69
TPSA61.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(azetidin-3-yl)-4-(4-fluoro-2-nitrophenyl)piperazine
CID 66203741
1-(azetidin-3-yl)-4-[(2-nitrophenyl)methyl]piperazine
CID 66201551
1-(azetidin-3-yl)-4-(2-iodo-4-nitrophenyl)piperazine
CID 66203549
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
(2R)-2-methyl-1-(2-nitrophenyl)piperazine
CID 54528666
(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973
ethane;1-methyl-4-(2-nitrophenyl)-1,4-diazepane
CID 91421096
1-benzyl-4-(2-nitrophenyl)piperazine
CID 518171
2-[4-(2-nitrophenyl)piperazin-1-yl]acetonitrile
CID 16656297
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
1-[4-(2-nitrophenyl)piperazin-1-yl]-2-piperidin-4-ylethanone;hydrochloride
CID 119681356

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine (CID 66202975) is 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine is O=[N+]([O-])c1ccccc1N1CCN(C2CNC2)CC1.
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine?
The InChIKey is NAKYEWZXKNZCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-17(19)13-4-2-1-3-12(13)16-7-5-15(6-8-16)11-9-14-10-11/h1-4,11,14H,5-10H2.
What are the key properties of 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine?
1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine has a molecular weight of 262.31 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-nitrophenyl)piperazine is sourced from PubChem (CID 66202975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).