1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine

C17H30N2O — CID 143655676

IUPAC1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
SMILESC=C/C(=C\C/C(C)=C\C)OCCCN1CCN(C)CC1
InChIInChI=1S/C17H30N2O/c1-5-16(3)8-9-17(6-2)20-15-7-10-19-13-11-18(4)12-14-19/h5-6,9H,2,7-8,10-15H2,1,3-4H3/b16-5-,17-9+
InChIKeyLVWSCKKLQSLSRJ-RWILWXQBSA-N
MW278.44 g/mol
LogP3.07
Rot. Bonds8

About 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine

1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine (PubChem CID 143655676) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
PubChem CID143655676
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
SMILESC=C/C(=C\C/C(C)=C\C)OCCCN1CCN(C)CC1
InChIInChI=1S/C17H30N2O/c1-5-16(3)8-9-17(6-2)20-15-7-10-19-13-11-18(4)12-14-19/h5-6,9H,2,7-8,10-15H2,1,3-4H3/b16-5-,17-9+
InChIKeyLVWSCKKLQSLSRJ-RWILWXQBSA-N
XLogP3.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine 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

1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
1-[3-[(2E,4E)-1-methoxyhepta-2,4-dien-2-yl]oxypropyl]-4-propylpiperazine
CID 126727657
1-[3-(3-Propan-2-ylidenecyclohexa-1,5-dien-1-yl)oxypropyl]piperazine
CID 141006326
N-methyl-3-[(3E,5E)-6-methylnona-1,3,5-trien-3-yl]oxy-N-propylpropan-1-amine
CID 141842638
1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine
CID 142152733
N,N-dimethyl-2-[(4E)-4-[(2E)-3-(3-piperidin-1-ylpropoxy)penta-2,4-dienylidene]azocan-1-yl]ethanamine
CID 142864876
1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine
CID 143935692
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016
N,N-dimethyl-3-[(3E)-5-methylidenehepta-1,3-dien-3-yl]oxypropan-1-amine;ethane;3-methylidenepent-1-ene
CID 144461323
Carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
CID 163783016
1-Methyl-4-[4-(4-methylcyclohepta-1,3,6-trien-1-yl)oxybutyl]piperazine
CID 171071117
1-(3-Cyclohexa-1,3-dien-1-yloxypropyl)-4-ethylpiperazine
CID 173450291

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine (CID 143655676) is 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine is C=C/C(=C\C/C(C)=C\C)OCCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine?
The InChIKey is LVWSCKKLQSLSRJ-RWILWXQBSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-16(3)8-9-17(6-2)20-15-7-10-19-13-11-18(4)12-14-19/h5-6,9H,2,7-8,10-15H2,1,3-4H3/b16-5-,17-9+.
What are the key properties of 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine?
1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine has a molecular weight of 278.44 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine is sourced from PubChem (CID 143655676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).