5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol

C17H25NO3 — CID 174196346

IUPAC5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol
SMILESCCN1CCCCC1C(C)Oc1ccc2c(c1)COC2O
InChIInChI=1S/C17H25NO3/c1-3-18-9-5-4-6-16(18)12(2)21-14-7-8-15-13(10-14)11-20-17(15)19/h7-8,10,12,16-17,19H,3-6,9,11H2,1-2H3
InChIKeyOTNIXGZIWYQCOW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.85
Rot. Bonds4

About 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol

5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol (PubChem CID 174196346) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol.

Molecular Properties

Compound Name5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol
PubChem CID174196346
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol
SMILESCCN1CCCCC1C(C)Oc1ccc2c(c1)COC2O
InChIInChI=1S/C17H25NO3/c1-3-18-9-5-4-6-16(18)12(2)21-14-7-8-15-13(10-14)11-20-17(15)19/h7-8,10,12,16-17,19H,3-6,9,11H2,1-2H3
InChIKeyOTNIXGZIWYQCOW-UHFFFAOYSA-N
XLogP2.85
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-(1-ethylpiperidin-2-yl)ethoxy]-3H-2-benzofuran-1-one
CID 156500867
1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769783
ethane;ethyl 2-(chloromethyl)-4-[1-(1-ethylpiperidin-2-yl)ethoxy]benzoate
CID 156792010
2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
CID 23318303
3-deuterio-3-[6-[(1R)-1-[(2R)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172715890
2-[1-(2-benzofuran-5-yloxy)ethyl]-1-[(4-methoxycyclohexyl)methyl]piperidine
CID 175769763
3-[1-(1-methylpiperidin-2-yl)ethoxy]phenol
CID 117095443
[2-(1-phenoxyethyl)piperidin-1-yl]-phenylmethanone
CID 90696413
[4-[1-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 117052607
tert-butyl 2-[1-(3-phenoxyphenoxy)ethyl]piperidine-1-carboxylate
CID 69000587
ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177010106
(4-benzylphenoxy)-(1-ethylpyrrolidin-2-yl)methanol
CID 67649751

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol?
The IUPAC name of 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol (CID 174196346) is 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol.
What is the SMILES notation for 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol?
The canonical SMILES for 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol is CCN1CCCCC1C(C)Oc1ccc2c(c1)COC2O.
What is the InChIKey of 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol?
The InChIKey is OTNIXGZIWYQCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-18-9-5-4-6-16(18)12(2)21-14-7-8-15-13(10-14)11-20-17(15)19/h7-8,10,12,16-17,19H,3-6,9,11H2,1-2H3.
What are the key properties of 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol?
5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol is sourced from PubChem (CID 174196346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).