1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine

C15H26N2 — CID 146877130

IUPAC1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
SMILESC=CC(=C)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C15H26N2/c1-5-14(2)7-6-8-15(3)13-17-11-9-16(4)10-12-17/h5,8H,1-2,6-7,9-13H2,3-4H3/b15-8-
InChIKeySQSWBYOPYQCEOL-NVNXTCNLSA-N
MW234.39 g/mol
LogP2.70
Rot. Bonds6

About 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine

1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine (PubChem CID 146877130) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
PubChem CID146877130
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
SMILESC=CC(=C)CC/C=C(/C)CN1CCN(C)CC1
InChIInChI=1S/C15H26N2/c1-5-14(2)7-6-8-15(3)13-17-11-9-16(4)10-12-17/h5,8H,1-2,6-7,9-13H2,3-4H3/b15-8-
InChIKeySQSWBYOPYQCEOL-NVNXTCNLSA-N
XLogP2.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2E,6Z)-2,6-dimethyldodeca-2,6-dienyl]-4-methylpiperazine
CID 155617676
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
CID 143176220
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
1-[(Z)-6-(iodomethyl)-2-methyldodec-2-enyl]-4-methylpiperazine
CID 170054353
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
1-[(2Z,6E,9E,13Z)-6-hexylidene-10-(iodomethyl)-2,14-dimethyl-15-(4-methylpiperazin-1-yl)pentadeca-2,9,13-trienyl]-4-methyl-1,4-diazepane
CID 170054378
7-methyl-3-methylidene-8-[tris(2-methyl-6-methylideneocta-2,7-dienoxy)methoxy]octa-1,6-diene
CID 54253605
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl] acetate
CID 156682914
2-methyl-6-methylideneocta-2,7-dienal
CID 57156590
3,7-dimethyl-8-morpholin-4-ylocta-2,6-dien-1-ol
CID 54272275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
The IUPAC name of 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine (CID 146877130) is 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
The canonical SMILES for 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine is C=CC(=C)CC/C=C(/C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
The InChIKey is SQSWBYOPYQCEOL-NVNXTCNLSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14(2)7-6-8-15(3)13-17-11-9-16(4)10-12-17/h5,8H,1-2,6-7,9-13H2,3-4H3/b15-8-.
What are the key properties of 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine?
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine has a molecular weight of 234.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine is sourced from PubChem (CID 146877130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).