1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine

C16H30N2O — CID 123635814

IUPAC1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
SMILESCC=CC(OC)=C(C)N1CCN(CCCCC)CC1
InChIInChI=1S/C16H30N2O/c1-5-7-8-10-17-11-13-18(14-12-17)15(3)16(19-4)9-6-2/h6,9H,5,7-8,10-14H2,1-4H3
InChIKeyQMLHIJMPHVAUHU-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.25
Rot. Bonds7

About 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine

1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine (PubChem CID 123635814) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
PubChem CID123635814
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
SMILESCC=CC(OC)=C(C)N1CCN(CCCCC)CC1
InChIInChI=1S/C16H30N2O/c1-5-7-8-10-17-11-13-18(14-12-17)15(3)16(19-4)9-6-2/h6,9H,5,7-8,10-14H2,1-4H3
InChIKeyQMLHIJMPHVAUHU-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.25
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-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
CID 58594655
1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]-4-pentylpiperazine
CID 117797077
1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
CID 139516222
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106542
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128693
1-(2-Methoxycyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 173071006
1-(4-Methoxybenzene-5-id-1-yl)-4-(3-methylbutyl)piperazine;yttrium
CID 178164698
1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium(3+)
CID 23597350
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106517
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106543

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine?
The IUPAC name of 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine (CID 123635814) is 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine.
What is the SMILES notation for 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine?
The canonical SMILES for 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine is CC=CC(OC)=C(C)N1CCN(CCCCC)CC1.
What is the InChIKey of 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine?
The InChIKey is QMLHIJMPHVAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-7-8-10-17-11-13-18(14-12-17)15(3)16(19-4)9-6-2/h6,9H,5,7-8,10-14H2,1-4H3.
What are the key properties of 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine?
1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine has a molecular weight of 266.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine is sourced from PubChem (CID 123635814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).