1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene

C16H28N2O — CID 142106542

IUPAC1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
SMILESC=C(/C=C\C(=C)N1CCN(C)CC1C)OC.C=CC
InChIInChI=1S/C13H22N2O.C3H6/c1-11(6-7-13(3)16-5)15-9-8-14(4)10-12(15)2;1-3-2/h6-7,12H,1,3,8-10H2,2,4-5H3;3H,1H2,2H3/b7-6-;
InChIKeyLEUQGQLQRNFATI-NAFXZHHSSA-N
MW264.41 g/mol
LogP3.04
Rot. Bonds4

About 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene

1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene (PubChem CID 142106542) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene.

Molecular Properties

Compound Name1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
PubChem CID142106542
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
SMILESC=C(/C=C\C(=C)N1CCN(C)CC1C)OC.C=CC
InChIInChI=1S/C13H22N2O.C3H6/c1-11(6-7-13(3)16-5)15-9-8-14(4)10-12(15)2;1-3-2/h6-7,12H,1,3,8-10H2,2,4-5H3;3H,1H2,2H3/b7-6-;
InChIKeyLEUQGQLQRNFATI-NAFXZHHSSA-N
XLogP3.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-(1-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123502190
1-(3-Methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
CID 123635814
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
1-(1-tert-butylazetidin-3-yl)-4-[(2E,4Z)-6-methoxyhepta-2,4,6-trien-3-yl]piperazine
CID 141956998
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516
1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128655
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128693
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
The IUPAC name of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene (CID 142106542) is 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene.
What is the SMILES notation for 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
The canonical SMILES for 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene is C=C(/C=C\C(=C)N1CCN(C)CC1C)OC.C=CC.
What is the InChIKey of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
The InChIKey is LEUQGQLQRNFATI-NAFXZHHSSA-N. The full InChI is InChI=1S/C13H22N2O.C3H6/c1-11(6-7-13(3)16-5)15-9-8-14(4)10-12(15)2;1-3-2/h6-7,12H,1,3,8-10H2,2,4-5H3;3H,1H2,2H3/b7-6-;.
What are the key properties of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene has a molecular weight of 264.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene is sourced from PubChem (CID 142106542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).