2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol

C13H19NO2 — CID 23339553

IUPAC2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol
SMILESCCC1CCCCN1.Oc1c2cccc1O2
InChIInChI=1S/C7H15N.C6H4O2/c1-2-7-5-3-4-6-8-7;7-6-4-2-1-3-5(6)8-4/h7-8H,2-6H2,1H3;1-3,7H
InChIKeyBCTYDPKFAOZUTK-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.04
Rot. Bonds1

About 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol

2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol (PubChem CID 23339553) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol.

Molecular Properties

Compound Name2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol
PubChem CID23339553
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol
SMILESCCC1CCCCN1.Oc1c2cccc1O2
InChIInChI=1S/C7H15N.C6H4O2/c1-2-7-5-3-4-6-8-7;7-6-4-2-1-3-5(6)8-4/h7-8H,2-6H2,1H3;1-3,7H
InChIKeyBCTYDPKFAOZUTK-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylpyrrolidine;7-fluoro-6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene
CID 23339515
2-ethylpiperidine;hydrobromide
CID 131717239
8-ethyl-1,7-diazacyclopentadecane
CID 123357765
2-methoxy-6-[[methyl(piperidin-2-ylmethyl)amino]methyl]phenol
CID 106622828
2-methoxy-6-[[piperidin-2-ylmethyl(propyl)amino]methyl]phenol
CID 106623254
2-[2-(piperidin-2-ylmethylsulfonyl)ethyl]phenol
CID 115071222
2-bromo-7-oxabicyclo[2.2.1]hepta-1,3,5-triene;2-ethylpyrrolidine
CID 23339538
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(azocan-2-ylmethyl)-N-ethylaniline
CID 114240324
4-[azepan-2-ylmethyl(methyl)amino]phenol
CID 84697932
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983

Frequently Asked Questions

What is the IUPAC name of 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol?
The IUPAC name of 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol (CID 23339553) is 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol.
What is the SMILES notation for 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol?
The canonical SMILES for 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol is CCC1CCCCN1.Oc1c2cccc1O2.
What is the InChIKey of 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol?
The InChIKey is BCTYDPKFAOZUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H4O2/c1-2-7-5-3-4-6-8-7;7-6-4-2-1-3-5(6)8-4/h7-8H,2-6H2,1H3;1-3,7H.
What are the key properties of 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol?
2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol has a molecular weight of 221.30 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpiperidine;6-oxabicyclo[3.1.1]hepta-1(7),2,4-trien-7-ol is sourced from PubChem (CID 23339553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).