(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine

C27H28N3O+ — CID 6862353

IUPAC(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccccc1/C=C\C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H27N3O/c1-31-26-15-7-2-9-21(26)10-8-16-28-30-19-17-29(18-20-30)27-24-13-5-3-11-22(24)23-12-4-6-14-25(23)27/h2-16,27H,17-20H2,1H3/p+1/b10-8-,28-16-
InChIKeyTZGWMQUPMCHRJQ-KMCRVJJJSA-O
MW410.54 g/mol
LogP3.66
Rot. Bonds5

About (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine

(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine (PubChem CID 6862353) has the molecular formula C27H28N3O+ and a molecular weight of 410.54 g/mol. Its IUPAC name is (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
PubChem CID6862353
Molecular FormulaC27H28N3O+
Molecular Weight410.54 g/mol
Exact Mass410.22
IUPAC Name(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
SMILESCOc1ccccc1/C=C\C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H27N3O/c1-31-26-15-7-2-9-21(26)10-8-16-28-30-19-17-29(18-20-30)27-24-13-5-3-11-22(24)23-12-4-6-14-25(23)27/h2-16,27H,17-20H2,1H3/p+1/b10-8-,28-16-
InChIKeyTZGWMQUPMCHRJQ-KMCRVJJJSA-O
XLogP3.66
TPSA29.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyphenyl)-N-(4-phenylpiperazin-1-yl)prop-2-en-1-imine
CID 2875481
2-ethoxy-6-[[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]iminomethyl]phenolate
CID 5201228
N-[4-(4-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 2868304
N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine;hydrochloride
CID 2868825
1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 18280814
[4-[(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-C-methylcarbonimidoyl]phenyl] acetate
CID 7421261
1-(2-methoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 23763054
(E)-N-benzhydryl-3-(2-methoxyphenyl)prop-2-en-1-imine
CID 101022978
(Z)-3-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-imine
CID 6996171
3-(2-fluorophenyl)-4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
CID 6888945
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-N-methylaniline
CID 70554850
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The IUPAC name of (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine (CID 6862353) is (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine.
What is the SMILES notation for (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The canonical SMILES for (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine is COc1ccccc1/C=C\C=N/N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
The InChIKey is TZGWMQUPMCHRJQ-KMCRVJJJSA-O. The full InChI is InChI=1S/C27H27N3O/c1-31-26-15-7-2-9-21(26)10-8-16-28-30-19-17-29(18-20-30)27-24-13-5-3-11-22(24)23-12-4-6-14-25(23)27/h2-16,27H,17-20H2,1H3/p+1/b10-8-,28-16-.
What are the key properties of (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine?
(Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine has a molecular weight of 410.54 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-imine is sourced from PubChem (CID 6862353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).