(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine

C25H34FN5 — CID 89331540

IUPAC(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)N(CC=C)C1CCN(C)CC1
InChIInChI=1S/C25H34FN5/c1-5-7-21(12-15-27)24(19(3)20-8-10-22(26)11-9-20)25(29-28)31(16-6-2)23-13-17-30(4)18-14-23/h5-12,15,23,29H,1-3,13-14,16-18,27-28H2,4H3/b15-12-,21-7+,25-24-
InChIKeyMWEOHKLWWMKHRG-ZFCBZAEGSA-N
MW423.58 g/mol
LogP3.68
Rot. Bonds10

About (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine

(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (PubChem CID 89331540) has the molecular formula C25H34FN5 and a molecular weight of 423.58 g/mol. Its IUPAC name is (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
PubChem CID89331540
Molecular FormulaC25H34FN5
Molecular Weight423.58 g/mol
Exact Mass423.28
IUPAC Name(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
SMILESC=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)N(CC=C)C1CCN(C)CC1
InChIInChI=1S/C25H34FN5/c1-5-7-21(12-15-27)24(19(3)20-8-10-22(26)11-9-20)25(29-28)31(16-6-2)23-13-17-30(4)18-14-23/h5-12,15,23,29H,1-3,13-14,16-18,27-28H2,4H3/b15-12-,21-7+,25-24-
InChIKeyMWEOHKLWWMKHRG-ZFCBZAEGSA-N
XLogP3.68
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The IUPAC name of (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (CID 89331540) is (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The canonical SMILES for (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine is C=C/C=C(\C=C/N)C(/C(=C)c1ccc(F)cc1)=C(/NN)N(CC=C)C1CCN(C)CC1.
What is the InChIKey of (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The InChIKey is MWEOHKLWWMKHRG-ZFCBZAEGSA-N. The full InChI is InChI=1S/C25H34FN5/c1-5-7-21(12-15-27)24(19(3)20-8-10-22(26)11-9-20)25(29-28)31(16-6-2)23-13-17-30(4)18-14-23/h5-12,15,23,29H,1-3,13-14,16-18,27-28H2,4H3/b15-12-,21-7+,25-24-.
What are the key properties of (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
(1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine has a molecular weight of 423.58 g/mol, XLogP of 3.68, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-N-prop-2-enyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine is sourced from PubChem (CID 89331540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).