2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine

C23H28N4O4 — CID 86694464

IUPAC2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
SMILESO=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc([N+](=O)[O-])cc3)C(C3CC3)C2)cc1
InChIInChI=1S/C23H28N4O4/c28-26(29)21-7-1-18(2-8-21)11-13-24-15-16-25(23(17-24)20-5-6-20)14-12-19-3-9-22(10-4-19)27(30)31/h1-4,7-10,20,23H,5-6,11-17H2
InChIKeyFUTJIVFKLDPOQM-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.68
Rot. Bonds9

About 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine

2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine (PubChem CID 86694464) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
PubChem CID86694464
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
SMILESO=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc([N+](=O)[O-])cc3)C(C3CC3)C2)cc1
InChIInChI=1S/C23H28N4O4/c28-26(29)21-7-1-18(2-8-21)11-13-24-15-16-25(23(17-24)20-5-6-20)14-12-19-3-9-22(10-4-19)27(30)31/h1-4,7-10,20,23H,5-6,11-17H2
InChIKeyFUTJIVFKLDPOQM-UHFFFAOYSA-N
XLogP3.68
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-[(2-methylpropan-2-yl)oxymethyl]-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 86694467
(3R)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine
CID 102977402
(4aS,7aS)-4-[2-(4-nitrophenyl)ethyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 96549114
1-[2-(4-nitrophenyl)ethyl]piperidin-3-amine;hydrochloride
CID 119909999
1-[2-(4-nitrophenyl)ethyl]pyrrolidine
CID 10536901
1-[2-(4-bromophenyl)ethyl]-4-[2-(4-nitrophenyl)ethyl]piperazine
CID 67513412
1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119907439
1-[2-(4-nitrophenyl)ethyl]piperidine-4-carbonitrile
CID 48939342
N-methyl-1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine
CID 119923248
4-methyl-1-[2-(4-nitrophenyl)ethyl]piperidine-2-carboxylic acid
CID 114426826
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[2-(4-nitrophenyl)ethyl]piperazin-1-yl]ethanone
CID 60505162
[1-[2-(4-nitrophenyl)ethyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926955

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine?
The IUPAC name of 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine (CID 86694464) is 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine?
The canonical SMILES for 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine is O=[N+]([O-])c1ccc(CCN2CCN(CCc3ccc([N+](=O)[O-])cc3)C(C3CC3)C2)cc1.
What is the InChIKey of 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine?
The InChIKey is FUTJIVFKLDPOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c28-26(29)21-7-1-18(2-8-21)11-13-24-15-16-25(23(17-24)20-5-6-20)14-12-19-3-9-22(10-4-19)27(30)31/h1-4,7-10,20,23H,5-6,11-17H2.
What are the key properties of 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine?
2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine has a molecular weight of 424.50 g/mol, XLogP of 3.68, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine is sourced from PubChem (CID 86694464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).