1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane

C16H30N2 — CID 142544821

IUPAC1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane
SMILESC=C(C)/C=C\C(=C)CN1CCN(C)CC1.CCC
InChIInChI=1S/C13H22N2.C3H8/c1-12(2)5-6-13(3)11-15-9-7-14(4)8-10-15;1-3-2/h5-6H,1,3,7-11H2,2,4H3;3H2,1-2H3/b6-5-;
InChIKeyRAJIYZMGPDTZPV-YSMBQZINSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds4

About 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane

1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane (PubChem CID 142544821) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane.

Molecular Properties

Compound Name1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane
PubChem CID142544821
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane
SMILESC=C(C)/C=C\C(=C)CN1CCN(C)CC1.CCC
InChIInChI=1S/C13H22N2.C3H8/c1-12(2)5-6-13(3)11-15-9-7-14(4)8-10-15;1-3-2/h5-6H,1,3,7-11H2,2,4H3;3H2,1-2H3/b6-5-;
InChIKeyRAJIYZMGPDTZPV-YSMBQZINSA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane?
The IUPAC name of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane (CID 142544821) is 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane.
What is the SMILES notation for 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane?
The canonical SMILES for 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane is C=C(C)/C=C\C(=C)CN1CCN(C)CC1.CCC.
What is the InChIKey of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane?
The InChIKey is RAJIYZMGPDTZPV-YSMBQZINSA-N. The full InChI is InChI=1S/C13H22N2.C3H8/c1-12(2)5-6-13(3)11-15-9-7-14(4)8-10-15;1-3-2/h5-6H,1,3,7-11H2,2,4H3;3H2,1-2H3/b6-5-;.
What are the key properties of 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane?
1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane has a molecular weight of 250.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienyl]piperazine;propane is sourced from PubChem (CID 142544821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).