1-(3,6-dimethylocta-2,7-dienyl)piperidine

C15H27N — CID 86023805

IUPAC1-(3,6-dimethylocta-2,7-dienyl)piperidine
SMILESC=CC(C)CCC(C)=CCN1CCCCC1
InChIInChI=1S/C15H27N/c1-4-14(2)8-9-15(3)10-13-16-11-6-5-7-12-16/h4,10,14H,1,5-9,11-13H2,2-3H3
InChIKeyVCQCJMARJJEWGV-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.02
Rot. Bonds6

About 1-(3,6-dimethylocta-2,7-dienyl)piperidine

1-(3,6-dimethylocta-2,7-dienyl)piperidine (PubChem CID 86023805) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-(3,6-dimethylocta-2,7-dienyl)piperidine.

Molecular Properties

Compound Name1-(3,6-dimethylocta-2,7-dienyl)piperidine
PubChem CID86023805
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-(3,6-dimethylocta-2,7-dienyl)piperidine
SMILESC=CC(C)CCC(C)=CCN1CCCCC1
InChIInChI=1S/C15H27N/c1-4-14(2)8-9-15(3)10-13-16-11-6-5-7-12-16/h4,10,14H,1,5-9,11-13H2,2-3H3
InChIKeyVCQCJMARJJEWGV-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
Piperidine, 3,4-didehydro-4-ethyl-1,2,2,6,6-pentamethyl-
CID 114042
N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
4-Cyclopropyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 126720
1-Geranylpiperidine
CID 12760939
3-Cyclohexene-1-methylamine, N,N-dimethyl-, hydrochloride
CID 200461
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
(1S,5S)-2-methyl-2-azabicyclo[3.3.1]non-7-ene
CID 90677950
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
CID 118719152
Cambridge id 5410985
CID 28239625
2-Azabicyclo(2.2.2)oct-5-ene, 2-methyl-
CID 138008
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylocta-2,7-dienyl)piperidine?
The IUPAC name of 1-(3,6-dimethylocta-2,7-dienyl)piperidine (CID 86023805) is 1-(3,6-dimethylocta-2,7-dienyl)piperidine.
What is the SMILES notation for 1-(3,6-dimethylocta-2,7-dienyl)piperidine?
The canonical SMILES for 1-(3,6-dimethylocta-2,7-dienyl)piperidine is C=CC(C)CCC(C)=CCN1CCCCC1.
What is the InChIKey of 1-(3,6-dimethylocta-2,7-dienyl)piperidine?
The InChIKey is VCQCJMARJJEWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-14(2)8-9-15(3)10-13-16-11-6-5-7-12-16/h4,10,14H,1,5-9,11-13H2,2-3H3.
What are the key properties of 1-(3,6-dimethylocta-2,7-dienyl)piperidine?
1-(3,6-dimethylocta-2,7-dienyl)piperidine has a molecular weight of 221.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylocta-2,7-dienyl)piperidine is sourced from PubChem (CID 86023805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).