ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol

C17H33NO2 — CID 143018425

IUPACethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESC/C=C\C(=C/CC)OCC(O)CN1CCCCC1.CC
InChIInChI=1S/C15H27NO2.C2H6/c1-3-8-15(9-4-2)18-13-14(17)12-16-10-6-5-7-11-16;1-2/h3,8-9,14,17H,4-7,10-13H2,1-2H3;1-2H3/b8-3-,15-9+;
InChIKeyMRWBHILRXKQVRT-PCKYUQSNSA-N
MW283.46 g/mol
LogP3.75
Rot. Bonds7

About ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol

ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 143018425) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Nameethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol
PubChem CID143018425
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Nameethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol
SMILESC/C=C\C(=C/CC)OCC(O)CN1CCCCC1.CC
InChIInChI=1S/C15H27NO2.C2H6/c1-3-8-15(9-4-2)18-13-14(17)12-16-10-6-5-7-11-16;1-2/h3,8-9,14,17H,4-7,10-13H2,1-2H3;1-2H3/b8-3-,15-9+;
InChIKeyMRWBHILRXKQVRT-PCKYUQSNSA-N
XLogP3.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol (CID 143018425) is ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol is C/C=C\C(=C/CC)OCC(O)CN1CCCCC1.CC.
What is the InChIKey of ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is MRWBHILRXKQVRT-PCKYUQSNSA-N. The full InChI is InChI=1S/C15H27NO2.C2H6/c1-3-8-15(9-4-2)18-13-14(17)12-16-10-6-5-7-11-16;1-2/h3,8-9,14,17H,4-7,10-13H2,1-2H3;1-2H3/b8-3-,15-9+;.
What are the key properties of ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol?
ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 143018425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).