methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine

C15H29NO — CID 142187254

IUPACmethoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine
SMILESC=C(C)/C=C(\C)C1CCN(C)CC1.CCOC
InChIInChI=1S/C12H21N.C3H8O/c1-10(2)9-11(3)12-5-7-13(4)8-6-12;1-3-4-2/h9,12H,1,5-8H2,2-4H3;3H2,1-2H3/b11-9+;
InChIKeyDTHZICRUXBEDIO-LBEJWNQZSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds3

About methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine

methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine (PubChem CID 142187254) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine.

Molecular Properties

Compound Namemethoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine
PubChem CID142187254
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Namemethoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine
SMILESC=C(C)/C=C(\C)C1CCN(C)CC1.CCOC
InChIInChI=1S/C12H21N.C3H8O/c1-10(2)9-11(3)12-5-7-13(4)8-6-12;1-3-4-2/h9,12H,1,5-8H2,2-4H3;3H2,1-2H3/b11-9+;
InChIKeyDTHZICRUXBEDIO-LBEJWNQZSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine?
The IUPAC name of methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine (CID 142187254) is methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine.
What is the SMILES notation for methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine?
The canonical SMILES for methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine is C=C(C)/C=C(\C)C1CCN(C)CC1.CCOC.
What is the InChIKey of methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine?
The InChIKey is DTHZICRUXBEDIO-LBEJWNQZSA-N. The full InChI is InChI=1S/C12H21N.C3H8O/c1-10(2)9-11(3)12-5-7-13(4)8-6-12;1-3-4-2/h9,12H,1,5-8H2,2-4H3;3H2,1-2H3/b11-9+;.
What are the key properties of methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine?
methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1-methyl-4-[(2E)-4-methylpenta-2,4-dien-2-yl]piperidine is sourced from PubChem (CID 142187254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).