1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine

C23H32FN5 — CID 89331497

IUPAC1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(C1=CC(C)NC=C1)=C(\NN)N1CCC(N(C)C)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H32FN5/c1-16-15-19(9-12-26-16)22(17(2)18-5-7-20(24)8-6-18)23(27-25)29-13-10-21(11-14-29)28(3)4/h5-9,12,15-16,21,26-27H,2,10-11,13-14,25H2,1,3-4H3/b23-22-
InChIKeyRERMTDXQHISAID-FCQUAONHSA-N
MW397.54 g/mol
LogP2.97
Rot. Bonds6

About 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine

1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 89331497) has the molecular formula C23H32FN5 and a molecular weight of 397.54 g/mol. Its IUPAC name is 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine
PubChem CID89331497
Molecular FormulaC23H32FN5
Molecular Weight397.54 g/mol
Exact Mass397.26
IUPAC Name1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine
SMILESC=C(/C(C1=CC(C)NC=C1)=C(\NN)N1CCC(N(C)C)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H32FN5/c1-16-15-19(9-12-26-16)22(17(2)18-5-7-20(24)8-6-18)23(27-25)29-13-10-21(11-14-29)28(3)4/h5-9,12,15-16,21,26-27H,2,10-11,13-14,25H2,1,3-4H3/b23-22-
InChIKeyRERMTDXQHISAID-FCQUAONHSA-N
XLogP2.97
TPSA56.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine (CID 89331497) is 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine is C=C(/C(C1=CC(C)NC=C1)=C(\NN)N1CCC(N(C)C)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is RERMTDXQHISAID-FCQUAONHSA-N. The full InChI is InChI=1S/C23H32FN5/c1-16-15-19(9-12-26-16)22(17(2)18-5-7-20(24)8-6-18)23(27-25)29-13-10-21(11-14-29)28(3)4/h5-9,12,15-16,21,26-27H,2,10-11,13-14,25H2,1,3-4H3/b23-22-.
What are the key properties of 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine?
1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 397.54 g/mol, XLogP of 2.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 89331497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).