ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine

C15H29NO — CID 143277788

IUPACethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
SMILESC=C(/C=C\C)COCCC1CCNCC1.CC
InChIInChI=1S/C13H23NO.C2H6/c1-3-4-12(2)11-15-10-7-13-5-8-14-9-6-13;1-2/h3-4,13-14H,2,5-11H2,1H3;1-2H3/b4-3-;
InChIKeyADYOUKYMYQKYKW-LNKPDPKZSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds6

About ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine

ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine (PubChem CID 143277788) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine.

Molecular Properties

Compound Nameethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
PubChem CID143277788
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine
SMILESC=C(/C=C\C)COCCC1CCNCC1.CC
InChIInChI=1S/C13H23NO.C2H6/c1-3-4-12(2)11-15-10-7-13-5-8-14-9-6-13;1-2/h3-4,13-14H,2,5-11H2,1H3;1-2H3/b4-3-;
InChIKeyADYOUKYMYQKYKW-LNKPDPKZSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]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

4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine;ethane
CID 170614897
4-[2-[(2E,4E)-3-fluorohepta-2,4-dien-4-yl]oxyethyl]piperidine
CID 143759830
4-[2-(Cyclohexa-1,3-dien-1-ylmethoxy)-1,1-difluoroethyl]piperidine
CID 170614898
4-[2-(6-Methylhepta-1,3,5-trien-3-yloxy)ethyl]piperidine
CID 91060293
3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperidine
CID 142028461
4-[2-(1,3,4-Trimethylcyclohepta-2,4,6-trien-1-yl)oxyethyl]piperidine
CID 142147605
ethane;3-[[(2E,4E)-5-ethenyl-6-methylocta-2,4-dien-3-yl]oxymethyl]piperidine;propane
CID 143089618
4-[2-(6-Methylcyclohexa-1,5-dien-1-yl)oxyethyl]piperidine
CID 144067829
3-[[(3E)-4-methylhexa-1,3,5-trien-3-yl]oxymethyl]piperidine
CID 166104770
3-[(2-Methylcyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 166104987
4-(Cyclohexa-1,5-dien-1-ylmethoxymethyl)piperidine
CID 166113715
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115763768

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine?
The IUPAC name of ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine (CID 143277788) is ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine.
What is the SMILES notation for ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine?
The canonical SMILES for ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine is C=C(/C=C\C)COCCC1CCNCC1.CC.
What is the InChIKey of ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine?
The InChIKey is ADYOUKYMYQKYKW-LNKPDPKZSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-3-4-12(2)11-15-10-7-13-5-8-14-9-6-13;1-2/h3-4,13-14H,2,5-11H2,1H3;1-2H3/b4-3-;.
What are the key properties of ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine?
ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine has a molecular weight of 239.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[(Z)-2-methylidenepent-3-enoxy]ethyl]piperidine is sourced from PubChem (CID 143277788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).