ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine

C17H31NO2 — CID 153398624

IUPACethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
SMILESC=C/C=C\C(=C)OCCOCCN1CCCCC1.CC
InChIInChI=1S/C15H25NO2.C2H6/c1-3-4-8-15(2)18-14-13-17-12-11-16-9-6-5-7-10-16;1-2/h3-4,8H,1-2,5-7,9-14H2;1-2H3/b8-4-;
InChIKeyXJRBRRGORJMKMD-ZYFYRQFPSA-N
MW281.44 g/mol
LogP3.79
Rot. Bonds9

About ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine

ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine (PubChem CID 153398624) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine.

Molecular Properties

Compound Nameethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
PubChem CID153398624
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
SMILESC=C/C=C\C(=C)OCCOCCN1CCCCC1.CC
InChIInChI=1S/C15H25NO2.C2H6/c1-3-4-8-15(2)18-14-13-17-12-11-16-9-6-5-7-10-16;1-2/h3-4,8H,1-2,5-7,9-14H2;1-2H3/b8-4-;
InChIKeyXJRBRRGORJMKMD-ZYFYRQFPSA-N
XLogP3.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]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

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine?
The IUPAC name of ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine (CID 153398624) is ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine.
What is the SMILES notation for ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine?
The canonical SMILES for ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine is C=C/C=C\C(=C)OCCOCCN1CCCCC1.CC.
What is the InChIKey of ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine?
The InChIKey is XJRBRRGORJMKMD-ZYFYRQFPSA-N. The full InChI is InChI=1S/C15H25NO2.C2H6/c1-3-4-8-15(2)18-14-13-17-12-11-16-9-6-5-7-10-16;1-2/h3-4,8H,1-2,5-7,9-14H2;1-2H3/b8-4-;.
What are the key properties of ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine?
ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine has a molecular weight of 281.44 g/mol, XLogP of 3.79, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine is sourced from PubChem (CID 153398624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).