(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine

C20H36ClN5 — CID 143280099

IUPAC(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine
SMILESC/C=C(Cl)\C(=C/C(N)=C/N)N1CCN(C2CCN(CC)CC2)C(CC)C1
InChIInChI=1S/C20H36ClN5/c1-4-17-15-25(20(19(21)5-2)13-16(23)14-22)11-12-26(17)18-7-9-24(6-3)10-8-18/h5,13-14,17-18H,4,6-12,15,22-23H2,1-3H3/b16-14-,19-5+,20-13+
InChIKeyWGDVJSBGVIWICG-CPOMCMMESA-N
MW382.00 g/mol
LogP2.65
Rot. Bonds6

About (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine

(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine (PubChem CID 143280099) has the molecular formula C20H36ClN5 and a molecular weight of 382.00 g/mol. Its IUPAC name is (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine
PubChem CID143280099
Molecular FormulaC20H36ClN5
Molecular Weight382.00 g/mol
Exact Mass381.27
IUPAC Name(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine
SMILESC/C=C(Cl)\C(=C/C(N)=C/N)N1CCN(C2CCN(CC)CC2)C(CC)C1
InChIInChI=1S/C20H36ClN5/c1-4-17-15-25(20(19(21)5-2)13-16(23)14-22)11-12-26(17)18-7-9-24(6-3)10-8-18/h5,13-14,17-18H,4,6-12,15,22-23H2,1-3H3/b16-14-,19-5+,20-13+
InChIKeyWGDVJSBGVIWICG-CPOMCMMESA-N
XLogP2.65
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.00
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine 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

5-chloro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139373625
(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine;(3E)-4-fluoro-3,6-dimethylhepta-1,3,5-triene
CID 143280098
2-[4-[1-[(2E,4E)-5-chloro-2-methylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dimethyl-2H-pyridin-5-amine;ethane
CID 143280159
1-[3-(Piperidin-1-ylmethyl)-1,2-dihydropyridin-5-yl]-4-propan-2-ylpiperazine
CID 173051994
2-[4-[1-[(2E,4E)-5-chloro-2-methylhepta-2,4,6-trienyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dimethyl-2H-pyridin-5-amine
CID 143280160

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine?
The IUPAC name of (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine (CID 143280099) is (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine.
What is the SMILES notation for (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine?
The canonical SMILES for (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine is C/C=C(Cl)\C(=C/C(N)=C/N)N1CCN(C2CCN(CC)CC2)C(CC)C1.
What is the InChIKey of (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine?
The InChIKey is WGDVJSBGVIWICG-CPOMCMMESA-N. The full InChI is InChI=1S/C20H36ClN5/c1-4-17-15-25(20(19(21)5-2)13-16(23)14-22)11-12-26(17)18-7-9-24(6-3)10-8-18/h5,13-14,17-18H,4,6-12,15,22-23H2,1-3H3/b16-14-,19-5+,20-13+.
What are the key properties of (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine?
(1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine has a molecular weight of 382.00 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5E)-5-chloro-4-[3-ethyl-4-(1-ethylpiperidin-4-yl)piperazin-1-yl]hepta-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 143280099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).