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

C17H30N2O — CID 142106516

IUPAC1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
SMILESC=C(/C=C\C(=C/C)OC)N1CCN(C)CC1C.C=CC
InChIInChI=1S/C14H24N2O.C3H6/c1-6-14(17-5)8-7-12(2)16-10-9-15(4)11-13(16)3;1-3-2/h6-8,13H,2,9-11H2,1,3-5H3;3H,1H2,2H3/b8-7-,14-6+;
InChIKeyVWDHMOOKFKTRIS-YNUUUUQWSA-N
MW278.44 g/mol
LogP3.43
Rot. Bonds4

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

1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene (PubChem CID 142106516) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene.

Molecular Properties

Compound Name1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
PubChem CID142106516
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
SMILESC=C(/C=C\C(=C/C)OC)N1CCN(C)CC1C.C=CC
InChIInChI=1S/C14H24N2O.C3H6/c1-6-14(17-5)8-7-12(2)16-10-9-15(4)11-13(16)3;1-3-2/h6-8,13H,2,9-11H2,1,3-5H3;3H,1H2,2H3/b8-7-,14-6+;
InChIKeyVWDHMOOKFKTRIS-YNUUUUQWSA-N
XLogP3.43
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.43
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-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
1-(3-Methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
CID 123635814
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
1-[(2Z)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
CID 139516222
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)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106542
1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128655

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
The IUPAC name of 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene (CID 142106516) is 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene.
What is the SMILES notation for 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
The canonical SMILES for 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene is C=C(/C=C\C(=C/C)OC)N1CCN(C)CC1C.C=CC.
What is the InChIKey of 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
The InChIKey is VWDHMOOKFKTRIS-YNUUUUQWSA-N. The full InChI is InChI=1S/C14H24N2O.C3H6/c1-6-14(17-5)8-7-12(2)16-10-9-15(4)11-13(16)3;1-3-2/h6-8,13H,2,9-11H2,1,3-5H3;3H,1H2,2H3/b8-7-,14-6+;.
What are the key properties of 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene?
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene has a molecular weight of 278.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene is sourced from PubChem (CID 142106516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).