1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine

C15H26N2O — CID 168901669

IUPAC1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine
SMILESC=C/C=C\C(=C)OCCCCN1CCN(C)CC1
InChIInChI=1S/C15H26N2O/c1-4-5-8-15(2)18-14-7-6-9-17-12-10-16(3)11-13-17/h4-5,8H,1-2,6-7,9-14H2,3H3/b8-5-
InChIKeyLRRSORFQIXVGDM-YVMONPNESA-N
MW250.39 g/mol
LogP2.29
Rot. Bonds8

About 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine

1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine (PubChem CID 168901669) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine
PubChem CID168901669
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine
SMILESC=C/C=C\C(=C)OCCCCN1CCN(C)CC1
InChIInChI=1S/C15H26N2O/c1-4-5-8-15(2)18-14-7-6-9-17-12-10-16(3)11-13-17/h4-5,8H,1-2,6-7,9-14H2,3H3/b8-5-
InChIKeyLRRSORFQIXVGDM-YVMONPNESA-N
XLogP2.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine?
The IUPAC name of 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine (CID 168901669) is 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine is C=C/C=C\C(=C)OCCCCN1CCN(C)CC1.
What is the InChIKey of 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine?
The InChIKey is LRRSORFQIXVGDM-YVMONPNESA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-5-8-15(2)18-14-7-6-9-17-12-10-16(3)11-13-17/h4-5,8H,1-2,6-7,9-14H2,3H3/b8-5-.
What are the key properties of 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine?
1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine has a molecular weight of 250.39 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3Z)-hexa-1,3,5-trien-2-yl]oxybutyl]-4-methylpiperazine is sourced from PubChem (CID 168901669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).