ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine

C14H25NO — CID 143617057

IUPACethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(OC)=C(\C=C)C1CCNCC1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-4-11(12(5-2)14-3)10-6-8-13-9-7-10;1-2/h4-5,10,13H,1-2,6-9H2,3H3;1-2H3/b12-11-;
InChIKeyQRKRAUUBVUMEFO-AFEZEDKISA-N
MW223.36 g/mol
LogP3.28
Rot. Bonds4

About ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine

ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine (PubChem CID 143617057) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine.

Molecular Properties

Compound Nameethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
PubChem CID143617057
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nameethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine
SMILESC=C/C(OC)=C(\C=C)C1CCNCC1.CC
InChIInChI=1S/C12H19NO.C2H6/c1-4-11(12(5-2)14-3)10-6-8-13-9-7-10;1-2/h4-5,10,13H,1-2,6-9H2,3H3;1-2H3/b12-11-;
InChIKeyQRKRAUUBVUMEFO-AFEZEDKISA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
The IUPAC name of ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine (CID 143617057) is ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine.
What is the SMILES notation for ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
The canonical SMILES for ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine is C=C/C(OC)=C(\C=C)C1CCNCC1.CC.
What is the InChIKey of ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
The InChIKey is QRKRAUUBVUMEFO-AFEZEDKISA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-4-11(12(5-2)14-3)10-6-8-13-9-7-10;1-2/h4-5,10,13H,1-2,6-9H2,3H3;1-2H3/b12-11-;.
What are the key properties of ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine?
ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine has a molecular weight of 223.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3Z)-4-methoxyhexa-1,3,5-trien-3-yl]piperidine is sourced from PubChem (CID 143617057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).