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

C15H27N — CID 12760939

IUPAC1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C15H27N/c1-14(2)8-7-9-15(3)10-13-16-11-5-4-6-12-16/h8,10H,4-7,9,11-13H2,1-3H3/b15-10+
InChIKeyDKUCHUIKIVUQEN-XNTDXEJSSA-N
MW221.39 g/mol
LogP4.16
Rot. Bonds5

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

1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine (PubChem CID 12760939) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine.

Molecular Properties

Compound Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine
PubChem CID12760939
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine
SMILESCC(C)=CCC/C(C)=C/CN1CCCCC1
InChIInChI=1S/C15H27N/c1-14(2)8-7-9-15(3)10-13-16-11-5-4-6-12-16/h8,10H,4-7,9,11-13H2,1-3H3/b15-10+
InChIKeyDKUCHUIKIVUQEN-XNTDXEJSSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine?
The IUPAC name of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine (CID 12760939) is 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine.
What is the SMILES notation for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine?
The canonical SMILES for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine is CC(C)=CCC/C(C)=C/CN1CCCCC1.
What is the InChIKey of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine?
The InChIKey is DKUCHUIKIVUQEN-XNTDXEJSSA-N. The full InChI is InChI=1S/C15H27N/c1-14(2)8-7-9-15(3)10-13-16-11-5-4-6-12-16/h8,10H,4-7,9,11-13H2,1-3H3/b15-10+.
What are the key properties of 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine?
1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine has a molecular weight of 221.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-3,7-dimethylocta-2,6-dienyl]piperidine is sourced from PubChem (CID 12760939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).