4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine

C10H17NO — CID 143956447

IUPAC4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine
SMILESC=C(C)/C=C/OC1CCNCC1
InChIInChI=1S/C10H17NO/c1-9(2)5-8-12-10-3-6-11-7-4-10/h5,8,10-11H,1,3-4,6-7H2,2H3/b8-5+
InChIKeyWWZCVXDOYFIKRO-VMPITWQZSA-N
MW167.25 g/mol
LogP1.84
Rot. Bonds3

About 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine

4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine (PubChem CID 143956447) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine.

Molecular Properties

Compound Name4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine
PubChem CID143956447
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine
SMILESC=C(C)/C=C/OC1CCNCC1
InChIInChI=1S/C10H17NO/c1-9(2)5-8-12-10-3-6-11-7-4-10/h5,8,10-11H,1,3-4,6-7H2,2H3/b8-5+
InChIKeyWWZCVXDOYFIKRO-VMPITWQZSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
The IUPAC name of 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine (CID 143956447) is 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine.
What is the SMILES notation for 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
The canonical SMILES for 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine is C=C(C)/C=C/OC1CCNCC1.
What is the InChIKey of 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
The InChIKey is WWZCVXDOYFIKRO-VMPITWQZSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(2)5-8-12-10-3-6-11-7-4-10/h5,8,10-11H,1,3-4,6-7H2,2H3/b8-5+.
What are the key properties of 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine has a molecular weight of 167.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine is sourced from PubChem (CID 143956447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).