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

C19H37NO2 — CID 171071493

IUPACethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
SMILESC=C/C=C\C(=C)OCCOCCN1CCCCC1.CC.CC
InChIInChI=1S/C15H25NO2.2C2H6/c1-3-4-8-15(2)18-14-13-17-12-11-16-9-6-5-7-10-16;2*1-2/h3-4,8H,1-2,5-7,9-14H2;2*1-2H3/b8-4-;;
InChIKeyNFLVHUNPMCTIEI-QSELPZCXSA-N
MW311.51 g/mol
LogP4.81
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 171071493) has the molecular formula C19H37NO2 and a molecular weight of 311.51 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 CID171071493
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Nameethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine
SMILESC=C/C=C\C(=C)OCCOCCN1CCCCC1.CC.CC
InChIInChI=1S/C15H25NO2.2C2H6/c1-3-4-8-15(2)18-14-13-17-12-11-16-9-6-5-7-10-16;2*1-2/h3-4,8H,1-2,5-7,9-14H2;2*1-2H3/b8-4-;;
InChIKeyNFLVHUNPMCTIEI-QSELPZCXSA-N
XLogP4.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.51
LogP ≤ 54.81
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'}

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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 171071493) 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.CC.
What is the InChIKey of ethane;1-[2-[2-[(3Z)-hexa-1,3,5-trien-2-yl]oxyethoxy]ethyl]piperidine?
The InChIKey is NFLVHUNPMCTIEI-QSELPZCXSA-N. The full InChI is InChI=1S/C15H25NO2.2C2H6/c1-3-4-8-15(2)18-14-13-17-12-11-16-9-6-5-7-10-16;2*1-2/h3-4,8H,1-2,5-7,9-14H2;2*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 311.51 g/mol, XLogP of 4.81, 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 171071493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).