ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene

C15H29NO2 — CID 143401982

IUPACethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene
SMILESC=C.C=CC=CCC.CCOC1CCNCC1O
InChIInChI=1S/C7H15NO2.C6H10.C2H4/c1-2-10-7-3-4-8-5-6(7)9;1-3-5-6-4-2;1-2/h6-9H,2-5H2,1H3;3,5-6H,1,4H2,2H3;1-2H2
InChIKeyUXNLVTQWRMPHJH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.69
Rot. Bonds4

About ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene

ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene (PubChem CID 143401982) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene.

Molecular Properties

Compound Nameethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene
PubChem CID143401982
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene
SMILESC=C.C=CC=CCC.CCOC1CCNCC1O
InChIInChI=1S/C7H15NO2.C6H10.C2H4/c1-2-10-7-3-4-8-5-6(7)9;1-3-5-6-4-2;1-2/h6-9H,2-5H2,1H3;3,5-6H,1,4H2,2H3;1-2H2
InChIKeyUXNLVTQWRMPHJH-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
CID 142188309
1-methoxy-3-[[(5Z)-4-methylideneocta-5,7-dienyl]amino]propan-2-ol
CID 142188310
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-4-ethoxypiperidin-3-ol
CID 143402006
ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
CID 143402026
4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
CID 143402027

Frequently Asked Questions

What is the IUPAC name of ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene?
The IUPAC name of ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene (CID 143401982) is ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene.
What is the SMILES notation for ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene?
The canonical SMILES for ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene is C=C.C=CC=CCC.CCOC1CCNCC1O.
What is the InChIKey of ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene?
The InChIKey is UXNLVTQWRMPHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H10.C2H4/c1-2-10-7-3-4-8-5-6(7)9;1-3-5-6-4-2;1-2/h6-9H,2-5H2,1H3;3,5-6H,1,4H2,2H3;1-2H2.
What are the key properties of ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene?
ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene has a molecular weight of 255.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-ethoxypiperidin-3-ol;hexa-1,3-diene is sourced from PubChem (CID 143401982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).