2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol

C13H21NO2 — CID 142283541

IUPAC2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol
SMILESOCCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO2/c15-11-10-14-8-6-13(7-9-14)16-12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2
InChIKeyGRIUFTRNKXXZDT-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol

2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol (PubChem CID 142283541) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol
PubChem CID142283541
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol
SMILESOCCN1CCC(OC2=CCCC=C2)CC1
InChIInChI=1S/C13H21NO2/c15-11-10-14-8-6-13(7-9-14)16-12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2
InChIKeyGRIUFTRNKXXZDT-UHFFFAOYSA-N
XLogP1.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol with MolForge

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Related Compounds

1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)piperidine
CID 21959220
1-(3-Cyclohexa-1,5-dien-1-yloxypropyl)piperidin-4-ol
CID 22262780
1-(3-Cyclohexa-2,5-dien-1-yloxypropyl)piperidin-4-ol
CID 90953626
1-(2-Bromoethyl)-4-cyclohexa-1,5-dien-1-yloxypiperidine
CID 142283549
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine
CID 142327140
1-(4-Aminopiperidin-1-yl)-3-cyclohexa-1,5-dien-1-yloxypropan-2-ol
CID 142554658
1-cyclohexa-1,5-dien-1-yloxy-3-[4-[[3-[(3E)-hexa-1,3,5-trien-3-yl]oxy-2-hydroxypropyl]-methylamino]piperidin-1-yl]propan-2-ol
CID 142554661
ethane;1-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-3-piperidin-1-ylpropan-2-ol
CID 143018425
4-Cyclohexa-1,5-dien-1-yloxy-1-methylpiperidine;ethane
CID 144279255
2-[4-[(3E)-hexa-1,3,5-trien-3-yl]oxypiperidin-1-yl]ethanol
CID 144655815
2-(4-Cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)acetic acid
CID 173143860
4-Cyclohexa-1,5-dien-1-yloxy-1-ethylpiperidine
CID 173184417

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol?
The IUPAC name of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol (CID 142283541) is 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol.
What is the SMILES notation for 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol?
The canonical SMILES for 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol is OCCN1CCC(OC2=CCCC=C2)CC1.
What is the InChIKey of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol?
The InChIKey is GRIUFTRNKXXZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-11-10-14-8-6-13(7-9-14)16-12-4-2-1-3-5-12/h2,4-5,13,15H,1,3,6-11H2.
What are the key properties of 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol?
2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexa-1,5-dien-1-yloxypiperidin-1-yl)ethanol is sourced from PubChem (CID 142283541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).