ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine

C15H27NO — CID 145194564

IUPACethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine
SMILESC=C/C=C\C(=C)COC1CCN(C)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-6-12(2)11-15-13-7-9-14(3)10-8-13;1-2/h4-6,13H,1-2,7-11H2,3H3;1-2H3/b6-5-;
InChIKeyAYJPJXNCUZGHLQ-YSMBQZINSA-N
MW237.39 g/mol
LogP3.42
Rot. Bonds5

About ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine

ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine (PubChem CID 145194564) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine
PubChem CID145194564
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Nameethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine
SMILESC=C/C=C\C(=C)COC1CCN(C)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-5-6-12(2)11-15-13-7-9-14(3)10-8-13;1-2/h4-6,13H,1-2,7-11H2,3H3;1-2H3/b6-5-;
InChIKeyAYJPJXNCUZGHLQ-YSMBQZINSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-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

Related Compounds

1-Ethyl-4-(2-ethyl-6,6,6-trifluoro-5-methylhexa-2,4-dienoxy)piperidine
CID 90703251
1-methyl-4-[(3Z)-5-(trifluoromethoxymethyl)hexa-1,3,5-trien-2-yl]oxypiperidine
CID 142009799
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxy-1-methylpiperidine
CID 143392129
1-[(2-Fluoro-6-methoxycyclohexa-2,4-dien-1-yl)methyl]piperidine
CID 144301902
1-Ethyl-4-(5-fluoro-7-methylcyclohepta-1,4,6-trien-1-yl)oxypiperidine
CID 143502855
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidine
CID 57115460
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683
1-Methyl-4-(3-methylbuta-1,3-dien-2-yloxy)piperidine
CID 89594189
2-Hepta-1,3,5-trien-2-yl-4-methylmorpholine
CID 90729864
8-ethyl-2-methyl-3,4-bis[(Z)-prop-1-enyl]-1-oxa-8-azaspiro[4.5]dec-3-ene
CID 130220142
N,N-dimethyl-3-[(Z)-3-methyl-2-methylidenepent-3-enoxy]pentan-1-amine
CID 137428971
1-(cyclopropylmethyl)-4-[3-[(3E)-penta-1,3-dien-3-yl]cyclohepta-1,2,4,6-tetraen-1-yl]oxypiperidine
CID 139384049

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine?
The IUPAC name of ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine (CID 145194564) is ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine.
What is the SMILES notation for ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine?
The canonical SMILES for ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine is C=C/C=C\C(=C)COC1CCN(C)CC1.CC.
What is the InChIKey of ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine?
The InChIKey is AYJPJXNCUZGHLQ-YSMBQZINSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-5-6-12(2)11-15-13-7-9-14(3)10-8-13;1-2/h4-6,13H,1-2,7-11H2,3H3;1-2H3/b6-5-;.
What are the key properties of ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine?
ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienoxy]piperidine is sourced from PubChem (CID 145194564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).