ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol

C15H29NO2 — CID 143402026

IUPACethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
SMILESC/C=C\C=C(/C)C1(OCC)CCNCC1O.CC
InChIInChI=1S/C13H23NO2.C2H6/c1-4-6-7-11(3)13(16-5-2)8-9-14-10-12(13)15;1-2/h4,6-7,12,14-15H,5,8-10H2,1-3H3;1-2H3/b6-4-,11-7+;
InChIKeyRFDHEUVIXJCEKO-LAIAQJOMSA-N
MW255.40 g/mol
LogP2.66
Rot. Bonds4

About ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol

ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol (PubChem CID 143402026) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol.

Molecular Properties

Compound Nameethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
PubChem CID143402026
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Nameethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol
SMILESC/C=C\C=C(/C)C1(OCC)CCNCC1O.CC
InChIInChI=1S/C13H23NO2.C2H6/c1-4-6-7-11(3)13(16-5-2)8-9-14-10-12(13)15;1-2/h4,6-7,12,14-15H,5,8-10H2,1-3H3;1-2H3/b6-4-,11-7+;
InChIKeyRFDHEUVIXJCEKO-LAIAQJOMSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
The IUPAC name of ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol (CID 143402026) is ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol.
What is the SMILES notation for ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
The canonical SMILES for ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol is C/C=C\C=C(/C)C1(OCC)CCNCC1O.CC.
What is the InChIKey of ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
The InChIKey is RFDHEUVIXJCEKO-LAIAQJOMSA-N. The full InChI is InChI=1S/C13H23NO2.C2H6/c1-4-6-7-11(3)13(16-5-2)8-9-14-10-12(13)15;1-2/h4,6-7,12,14-15H,5,8-10H2,1-3H3;1-2H3/b6-4-,11-7+;.
What are the key properties of ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol?
ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol has a molecular weight of 255.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-4-[(2E,4Z)-hexa-2,4-dien-2-yl]piperidin-3-ol is sourced from PubChem (CID 143402026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).