3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine

C20H30N2 — CID 171138074

IUPAC3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine
SMILESCC(C)=CCCC(C)=CCN1CCCCC1c1cccnc1
InChIInChI=1S/C20H30N2/c1-17(2)8-6-9-18(3)12-15-22-14-5-4-11-20(22)19-10-7-13-21-16-19/h7-8,10,12-13,16,20H,4-6,9,11,14-15H2,1-3H3
InChIKeyLTAMQJCRHPXNLE-UHFFFAOYSA-N
MW298.47 g/mol
LogP5.30
Rot. Bonds6

About 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine

3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine (PubChem CID 171138074) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine
PubChem CID171138074
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Name3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine
SMILESCC(C)=CCCC(C)=CCN1CCCCC1c1cccnc1
InChIInChI=1S/C20H30N2/c1-17(2)8-6-9-18(3)12-15-22-14-5-4-11-20(22)19-10-7-13-21-16-19/h7-8,10,12-13,16,20H,4-6,9,11,14-15H2,1-3H3
InChIKeyLTAMQJCRHPXNLE-UHFFFAOYSA-N
XLogP5.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.47
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine (CID 171138074) is 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine is CC(C)=CCCC(C)=CCN1CCCCC1c1cccnc1.
What is the InChIKey of 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine?
The InChIKey is LTAMQJCRHPXNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2/c1-17(2)8-6-9-18(3)12-15-22-14-5-4-11-20(22)19-10-7-13-21-16-19/h7-8,10,12-13,16,20H,4-6,9,11,14-15H2,1-3H3.
What are the key properties of 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine?
3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine has a molecular weight of 298.47 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,7-dimethylocta-2,6-dienyl)piperidin-2-yl]pyridine is sourced from PubChem (CID 171138074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).