ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine

C14H26N2 — CID 142829570

IUPACethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(/C=C\C=C/C)N1CCN(C)CC1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14;1-2/h4-7H,2,8-11H2,1,3H3;1-2H3/b5-4-,7-6-;
InChIKeySAMUKRDRDKHTNN-CYSANHHKSA-N
MW222.38 g/mol
LogP2.91
Rot. Bonds3

About ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine

ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine (PubChem CID 142829570) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
PubChem CID142829570
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(/C=C\C=C/C)N1CCN(C)CC1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14;1-2/h4-7H,2,8-11H2,1,3H3;1-2H3/b5-4-,7-6-;
InChIKeySAMUKRDRDKHTNN-CYSANHHKSA-N
XLogP2.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylazetidin-3-amine
CID 142322995
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
(3Z,5E)-5-(4-methylpiperazin-1-yl)hepta-1,3,5-trien-2-amine
CID 166686108
1-methyl-4-[(2Z,4E)-6-methylideneocta-2,4-dien-4-yl]piperazine
CID 167243119
ethane;1-[(3Z)-hexa-1,3,5-trien-2-yl]piperidin-4-one
CID 142088727
2-methylhepta-1,3,5-triene
CID 54571604
1,4-dimethylpiperazine;ethane
CID 91292414
1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane
CID 177053447
1-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
(3Z)-5-(4-methylpiperazin-1-yl)-3-propylhexa-1,3,5-trien-2-amine
CID 155721811
hepta-1,3,5-trien-2-ylcyclohexane
CID 123932663

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine (CID 142829570) is ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine is C=C(/C=C\C=C/C)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine?
The InChIKey is SAMUKRDRDKHTNN-CYSANHHKSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-4-5-6-7-12(2)14-10-8-13(3)9-11-14;1-2/h4-7H,2,8-11H2,1,3H3;1-2H3/b5-4-,7-6-;.
What are the key properties of ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine?
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine is sourced from PubChem (CID 142829570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).