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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Related Compounds

1-[4-(3,5-Difluorocyclohexa-1,5-dien-1-yl)piperidin-1-yl]ethanol
CID 69626960
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CID 140129719
4-(2-Fluorocyclohexa-1,5-dien-1-yl)-1-(2-methoxyethyl)piperidine
CID 173172155
4-(4-Methoxybutylidene)-1-methylpiperidine
CID 57528384
(6R)-2-(2-methoxyethyl)-6-methyl-3,4,6,7-tetrahydro-1H-isoquinoline
CID 70843731
1-Methyl-4-(2-methyl-5-propan-2-yloxycyclohexa-1,5-dien-1-yl)piperidine
CID 71133721
4-[(3E)-hexa-1,3-dien-3-yl]-1-methylpiperidine
CID 88585405
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-[(3Z,5E)-6-[(1E,3Z)-hexa-1,3,5-trienoxy]-2-methylidenehexa-3,5-dienyl]-4-[(3E,5E,7E,9Z,11E)-11-methyltrideca-1,3,5,7,9,11-hexaen-3-yl]piperidine
CID 122651438
1-Methyl-4-penta-1,3-dien-3-ylpiperidine
CID 123158822
4-(5-Methyl-4-methylidenehept-2-en-3-yl)morpholine
CID 123229247

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).