1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine

C23H20N4O2 — CID 90251363

IUPAC1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=C/c1cccnc1N1CCNCC1)c1ccccc1-2
InChIInChI=1S/C23H20N4O2/c28-27(29)17-7-8-20-18-5-1-2-6-19(18)21(22(20)15-17)14-16-4-3-9-25-23(16)26-12-10-24-11-13-26/h1-9,14-15,24H,10-13H2/b21-14+
InChIKeyQFRAHLXKCAVTKO-KGENOOAVSA-N
MW384.44 g/mol
LogP3.97
Rot. Bonds3

About 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine

1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine (PubChem CID 90251363) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine
PubChem CID90251363
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine
SMILESO=[N+]([O-])c1ccc2c(c1)/C(=C/c1cccnc1N1CCNCC1)c1ccccc1-2
InChIInChI=1S/C23H20N4O2/c28-27(29)17-7-8-20-18-5-1-2-6-19(18)21(22(20)15-17)14-16-4-3-9-25-23(16)26-12-10-24-11-13-26/h1-9,14-15,24H,10-13H2/b21-14+
InChIKeyQFRAHLXKCAVTKO-KGENOOAVSA-N
XLogP3.97
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.97
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

6-nitro-2,3-di(piperazin-1-yl)quinoxaline
CID 5009613
1-(4-fluorophenyl)sulfonyl-4-[2-[2-[(E)-(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine
CID 71271373
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
(9E)-2-nitro-9-[[4-(trifluoromethyl)phenyl]methylidene]fluorene
CID 102122057
5-[(5-nitro-2-piperazin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 66522336
1-(4-nitrophenyl)-4-pyridin-2-ylpiperazine;1-pyridin-2-ylpiperazine;4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 163650387
1-(3-nitrophenyl)piperazine
CID 2760216
1-[4-nitro-2-(1,2,4-triazol-4-yl)phenyl]piperazine
CID 56737324
5-nitro-2-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 4903897
1-(3-nitrophenyl)piperazine;hydrochloride
CID 2760215
(5Z)-1-(3-chlorophenyl)-5-[(5-nitro-2-piperazin-1-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 66522422
N,N-diethyl-4-[(2-nitrofluoren-9-ylidene)methyl]aniline
CID 54431747

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine (CID 90251363) is 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine is O=[N+]([O-])c1ccc2c(c1)/C(=C/c1cccnc1N1CCNCC1)c1ccccc1-2.
What is the InChIKey of 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine?
The InChIKey is QFRAHLXKCAVTKO-KGENOOAVSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-27(29)17-7-8-20-18-5-1-2-6-19(18)21(22(20)15-17)14-16-4-3-9-25-23(16)26-12-10-24-11-13-26/h1-9,14-15,24H,10-13H2/b21-14+.
What are the key properties of 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine?
1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine has a molecular weight of 384.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-(2-nitrofluoren-9-ylidene)methyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 90251363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).