2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol

C13H21NO2 — CID 144655815

IUPAC2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol
SMILESC=C/C=C(\C=C)OC1CCN(CCO)CC1
InChIInChI=1S/C13H21NO2/c1-3-5-12(4-2)16-13-6-8-14(9-7-13)10-11-15/h3-5,13,15H,1-2,6-11H2/b12-5+
InChIKeyBVUIAKOFKNFTQT-LFYBBSHMSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol

2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol (PubChem CID 144655815) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol
PubChem CID144655815
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol
SMILESC=C/C=C(\C=C)OC1CCN(CCO)CC1
InChIInChI=1S/C13H21NO2/c1-3-5-12(4-2)16-13-6-8-14(9-7-13)10-11-15/h3-5,13,15H,1-2,6-11H2/b12-5+
InChIKeyBVUIAKOFKNFTQT-LFYBBSHMSA-N
XLogP1.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
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 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol (CID 144655815) is 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol is C=C/C=C(\C=C)OC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol?
The InChIKey is BVUIAKOFKNFTQT-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-12(4-2)16-13-6-8-14(9-7-13)10-11-15/h3-5,13,15H,1-2,6-11H2/b12-5+.
What are the key properties of 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol?
2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol is sourced from PubChem (CID 144655815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).