(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine

C22H22N3S+ — CID 6863203

IUPAC(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
SMILESC(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1cccs1
InChIInChI=1S/C22H21N3S/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/p+1/b23-16+
InChIKeyJMGACQFWLUTIBU-XQNSMLJCSA-O
MW360.51 g/mol
LogP3.05
Rot. Bonds3

About (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine

(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine (PubChem CID 6863203) has the molecular formula C22H22N3S+ and a molecular weight of 360.51 g/mol. Its IUPAC name is (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
PubChem CID6863203
Molecular FormulaC22H22N3S+
Molecular Weight360.51 g/mol
Exact Mass360.15
IUPAC Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine
SMILESC(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1cccs1
InChIInChI=1S/C22H21N3S/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/p+1/b23-16+
InChIKeyJMGACQFWLUTIBU-XQNSMLJCSA-O
XLogP3.05
TPSA20.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylmethanimine
CID 761163
(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 6862353
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylethanimine
CID 7285188
[4-[(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methylcarbonimidoyl]phenyl] acetate
CID 7421261
N-(2,3-dihydroindol-1-yl)-1-thiophen-2-ylmethanimine
CID 165346469
(3Z)-3-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1H-indol-2-one
CID 135411606
[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(4-methylphenyl)methanone
CID 9003924
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-thiophen-2-ylmethanimine
CID 5393057
(3R,4S)-1-oxo-3-thiophen-2-yl-2-[(E)-thiophen-2-ylmethylideneamino]-3,4-dihydroisoquinoline-4-carboxylic acid
CID 134852131
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine
CID 5350792
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
2-[(2S)-1-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 6967858

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine (CID 6863203) is (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine is C(=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)\c1cccs1.
What is the InChIKey of (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine?
The InChIKey is JMGACQFWLUTIBU-XQNSMLJCSA-O. The full InChI is InChI=1S/C22H21N3S/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/p+1/b23-16+.
What are the key properties of (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine?
(E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine has a molecular weight of 360.51 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 6863203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).