1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol

C20H29NO4 — CID 166178994

IUPAC1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol
SMILESOC(COC1CCOCC1)CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C20H29NO4/c22-17(15-24-18-5-11-23-12-6-18)13-21-9-7-20(8-10-21)19-4-2-1-3-16(19)14-25-20/h1-4,17-18,22H,5-15H2
InChIKeyHQNDQHIEJZXCLR-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.06
Rot. Bonds5

About 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol

1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol (PubChem CID 166178994) has the molecular formula C20H29NO4 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol.

Molecular Properties

Compound Name1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol
PubChem CID166178994
Molecular FormulaC20H29NO4
Molecular Weight347.46 g/mol
Exact Mass347.21
IUPAC Name1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol
SMILESOC(COC1CCOCC1)CN1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C20H29NO4/c22-17(15-24-18-5-11-23-12-6-18)13-21-9-7-20(8-10-21)19-4-2-1-3-16(19)14-25-20/h1-4,17-18,22H,5-15H2
InChIKeyHQNDQHIEJZXCLR-UHFFFAOYSA-N
XLogP2.06
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[2-hydroxy-3-(oxan-4-yloxy)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 126785090
1-cyclopentyloxy-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 16958185
1-[3-[(2-fluorophenyl)methyl]azetidin-1-yl]-3-(oxan-4-yloxy)propan-2-ol
CID 154751324
N-methyl-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl-N-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)ethanamine
CID 18700233
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
N-[2-[(2R)-3-(5-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 68963446
1'-(3-morpholin-4-ylquinoxalin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]
CID 154806757
1-(2-methylspiro[2,5-dihydro-1,4-benzodioxepine-3,4'-piperidine]-1'-yl)-3-phenoxypropan-2-ol
CID 13476090
[2-[(2R)-3-(6-chlorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-(4-phenylpiperidin-1-yl)methanone
CID 68965207
2-[(2-fluoro-5-hydroxyphenyl)methyl]-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropanoic acid
CID 58977963
2-[(2-methoxycarbonylphenyl)methyl]-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropanoic acid
CID 58977974
2-[(2-chloro-5-hydroxyphenyl)methyl]-1-(3-methoxyazetidin-1-yl)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one
CID 58948319

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol?
The IUPAC name of 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol (CID 166178994) is 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol.
What is the SMILES notation for 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol?
The canonical SMILES for 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol is OC(COC1CCOCC1)CN1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol?
The InChIKey is HQNDQHIEJZXCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c22-17(15-24-18-5-11-23-12-6-18)13-21-9-7-20(8-10-21)19-4-2-1-3-16(19)14-25-20/h1-4,17-18,22H,5-15H2.
What are the key properties of 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol?
1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol has a molecular weight of 347.46 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yloxy)-3-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-2-ol is sourced from PubChem (CID 166178994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).