4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine

C10H17N — CID 86710783

IUPAC4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine
SMILESC=C/C=C/C1(C)CCNCC1
InChIInChI=1S/C10H17N/c1-3-4-5-10(2)6-8-11-9-7-10/h3-5,11H,1,6-9H2,2H3/b5-4+
InChIKeyVFFPLRNGXGPLHH-SNAWJCMRSA-N
MW151.25 g/mol
LogP2.12
Rot. Bonds2

About 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine

4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine (PubChem CID 86710783) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine
PubChem CID86710783
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine
SMILESC=C/C=C/C1(C)CCNCC1
InChIInChI=1S/C10H17N/c1-3-4-5-10(2)6-8-11-9-7-10/h3-5,11H,1,6-9H2,2H3/b5-4+
InChIKeyVFFPLRNGXGPLHH-SNAWJCMRSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine?
The IUPAC name of 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine (CID 86710783) is 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine.
What is the SMILES notation for 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine?
The canonical SMILES for 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine is C=C/C=C/C1(C)CCNCC1.
What is the InChIKey of 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine?
The InChIKey is VFFPLRNGXGPLHH-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-5-10(2)6-8-11-9-7-10/h3-5,11H,1,6-9H2,2H3/b5-4+.
What are the key properties of 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine?
4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-buta-1,3-dienyl]-4-methylpiperidine is sourced from PubChem (CID 86710783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).