(E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine

C15H27NO2 — CID 143956446

IUPAC(E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine
SMILESC/C=C(\C)OC.C=C(C)/C=C/OC1CCNCC1
InChIInChI=1S/C10H17NO.C5H10O/c1-9(2)5-8-12-10-3-6-11-7-4-10;1-4-5(2)6-3/h5,8,10-11H,1,3-4,6-7H2,2H3;4H,1-3H3/b8-5+;5-4+
InChIKeyHVRSOAGWNXRMPS-NBSWMBSASA-N
MW253.39 g/mol
LogP3.40
Rot. Bonds4

About (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine

(E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine (PubChem CID 143956446) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine.

Molecular Properties

Compound Name(E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine
PubChem CID143956446
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine
SMILESC/C=C(\C)OC.C=C(C)/C=C/OC1CCNCC1
InChIInChI=1S/C10H17NO.C5H10O/c1-9(2)5-8-12-10-3-6-11-7-4-10;1-4-5(2)6-3/h5,8,10-11H,1,3-4,6-7H2,2H3;4H,1-3H3/b8-5+;5-4+
InChIKeyHVRSOAGWNXRMPS-NBSWMBSASA-N
XLogP3.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
The IUPAC name of (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine (CID 143956446) is (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine.
What is the SMILES notation for (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
The canonical SMILES for (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine is C/C=C(\C)OC.C=C(C)/C=C/OC1CCNCC1.
What is the InChIKey of (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
The InChIKey is HVRSOAGWNXRMPS-NBSWMBSASA-N. The full InChI is InChI=1S/C10H17NO.C5H10O/c1-9(2)5-8-12-10-3-6-11-7-4-10;1-4-5(2)6-3/h5,8,10-11H,1,3-4,6-7H2,2H3;4H,1-3H3/b8-5+;5-4+.
What are the key properties of (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine?
(E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine has a molecular weight of 253.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxybut-2-ene;4-[(1E)-3-methylbuta-1,3-dienoxy]piperidine is sourced from PubChem (CID 143956446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).