1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine

C18H32N2O — CID 143655663

IUPAC1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine
SMILESC=C(CC=C/C(C)=C\C)OCCCCN1CCN(C)CC1
InChIInChI=1S/C18H32N2O/c1-5-17(2)9-8-10-18(3)21-16-7-6-11-20-14-12-19(4)13-15-20/h5,8-9H,3,6-7,10-16H2,1-2,4H3/b9-8?,17-5-
InChIKeyUSBFEKUGZAWXHF-PZCIGXJRSA-N
MW292.47 g/mol
LogP3.46
Rot. Bonds9

About 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine

1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine (PubChem CID 143655663) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine
PubChem CID143655663
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine
SMILESC=C(CC=C/C(C)=C\C)OCCCCN1CCN(C)CC1
InChIInChI=1S/C18H32N2O/c1-5-17(2)9-8-10-18(3)21-16-7-6-11-20-14-12-19(4)13-15-20/h5,8-9H,3,6-7,10-16H2,1-2,4H3/b9-8?,17-5-
InChIKeyUSBFEKUGZAWXHF-PZCIGXJRSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.46
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-[4-(4-methylcyclohepta-1,3,6-trien-1-yl)oxybutyl]piperazine
CID 171071117

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine (CID 143655663) is 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine is C=C(CC=C/C(C)=C\C)OCCCCN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine?
The InChIKey is USBFEKUGZAWXHF-PZCIGXJRSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-17(2)9-8-10-18(3)21-16-7-6-11-20-14-12-19(4)13-15-20/h5,8-9H,3,6-7,10-16H2,1-2,4H3/b9-8?,17-5-.
What are the key properties of 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine?
1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine has a molecular weight of 292.47 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(6Z)-6-methylocta-1,4,6-trien-2-yl]oxybutyl]piperazine is sourced from PubChem (CID 143655663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).