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

C29H36FN5 — CID 89331567

IUPAC(1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-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(Cc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C29H36FN5/c1-4-8-25(15-18-31)28(22(2)24-11-13-26(30)14-12-24)29(33-32)35(21-23-9-6-5-7-10-23)27-16-19-34(3)20-17-27/h4-15,18,27,33H,1-2,16-17,19-21,31-32H2,3H3/b18-15-,25-8+,29-28-
InChIKeyAQJAEOXCCVAZPO-QKECXGBUSA-N
MW473.64 g/mol
LogP4.70
Rot. Bonds10

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

(1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (PubChem CID 89331567) has the molecular formula C29H36FN5 and a molecular weight of 473.64 g/mol. Its IUPAC name is (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
PubChem CID89331567
Molecular FormulaC29H36FN5
Molecular Weight473.64 g/mol
Exact Mass473.30
IUPAC Name(1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-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(Cc1ccccc1)C1CCN(C)CC1
InChIInChI=1S/C29H36FN5/c1-4-8-25(15-18-31)28(22(2)24-11-13-26(30)14-12-24)29(33-32)35(21-23-9-6-5-7-10-23)27-16-19-34(3)20-17-27/h4-15,18,27,33H,1-2,16-17,19-21,31-32H2,3H3/b18-15-,25-8+,29-28-
InChIKeyAQJAEOXCCVAZPO-QKECXGBUSA-N
XLogP4.70
TPSA70.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.64
LogP ≤ 54.70
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'}

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

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Related Compounds

1-N'-(1-benzylpiperidin-4-yl)-2-(3-fluorophenyl)ethane-1,1-diamine
CID 68892670
N-[5-(4-fluorophenyl)-3-methyl-4-(2-methyl-1,2-dihydropyridin-4-yl)-1,2-dihydropyrazol-3-yl]-1-methylpiperidin-4-amine
CID 71165874
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
N,N-diethyl-1-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]piperidin-4-amine
CID 89331506
(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
(1Z,3E)-3-[5-[3-(aminomethyl)piperazin-1-yl]-3-(4-fluorophenyl)-3-methyl-1,2-dihydropyrazol-4-yl]hexa-1,3,5-trien-1-amine
CID 89331563
4-[(1Z)-3-(4-fluorophenyl)-1-hydrazinylbuta-1,3-dien-2-yl]-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1,2-dihydropyridin-6-amine
CID 89331582
(1Z,3E)-3-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)buta-1,3-dien-2-yl]hexa-1,3,5-trien-1-amine
CID 89331606
1-[(1Z,3E)-3-[(Z)-2-aminoethenyl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinylhexa-1,3,5-trienyl]piperidin-4-amine
CID 89331623
(1Z,3E,4Z)-N-[5-(diethylamino)pentan-2-yl]-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine
CID 89331665
N-[(1Z)-3-(4-fluorophenyl)-1-hydrazinyl-2-(2-methyl-1,2-dihydropyridin-4-yl)buta-1,3-dienyl]-N,1-dimethylpiperidin-4-amine
CID 89331678
N-cyclohexyl-N'-[(3,5-difluorophenyl)methyl]-N'-[[1-(methylamino)piperidin-4-yl]methyl]methanediamine
CID 123791452

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The IUPAC name of (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine (CID 89331567) is (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine.
What is the SMILES notation for (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The canonical SMILES for (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-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(Cc1ccccc1)C1CCN(C)CC1.
What is the InChIKey of (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
The InChIKey is AQJAEOXCCVAZPO-QKECXGBUSA-N. The full InChI is InChI=1S/C29H36FN5/c1-4-8-25(15-18-31)28(22(2)24-11-13-26(30)14-12-24)29(33-32)35(21-23-9-6-5-7-10-23)27-16-19-34(3)20-17-27/h4-15,18,27,33H,1-2,16-17,19-21,31-32H2,3H3/b18-15-,25-8+,29-28-.
What are the key properties of (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine?
(1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine has a molecular weight of 473.64 g/mol, XLogP of 4.70, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,4Z)-N-benzyl-2-[1-(4-fluorophenyl)ethenyl]-1-hydrazinyl-N-(1-methylpiperidin-4-yl)-3-prop-2-enylidenepenta-1,4-diene-1,5-diamine is sourced from PubChem (CID 89331567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).