spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol

C12H15NO3 — CID 105477452

IUPACspiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol
SMILESOc1ccc2c(c1)OC1(CCNCC1)C2O
InChIInChI=1S/C12H15NO3/c14-8-1-2-9-10(7-8)16-12(11(9)15)3-5-13-6-4-12/h1-2,7,11,13-15H,3-6H2
InChIKeyOTHIVHPHCZNUEK-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.94
Rot. Bonds

About spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol

spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol (PubChem CID 105477452) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol.

Molecular Properties

Compound Namespiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol
PubChem CID105477452
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namespiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol
SMILESOc1ccc2c(c1)OC1(CCNCC1)C2O
InChIInChI=1S/C12H15NO3/c14-8-1-2-9-10(7-8)16-12(11(9)15)3-5-13-6-4-12/h1-2,7,11,13-15H,3-6H2
InChIKeyOTHIVHPHCZNUEK-UHFFFAOYSA-N
XLogP0.94
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylspiro[3H-indole-2,4'-piperidine]-3,5-diol
CID 105494683
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
2-(2-hydroxyphenyl)-2,3,3-trimethyl-4H-chromene-4,7-diol
CID 154140524
spiro[3,4-dihydrochromene-2,3'-pyrrolidine]-6-ol
CID 82046047
(3S)-spiro[3H-1-benzofuran-2,4'-piperidine]-3-amine
CID 155095733
(4aS,5R,10bS)-5-methyl-5-(4-methylpentyl)spiro[2,4,4a,10b-tetrahydropyrano[3,2-c]chromene-3,4'-piperidine]-8-ol;hydrochloride
CID 171687430
3-fluoro-4-[(2S,3S)-3-(2-fluoro-4-hydroxyphenyl)piperazin-2-yl]phenol
CID 124672778
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
N-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-3-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]acetamide
CID 123726802
3-pyrrol-1-ylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 15571630
6-chloro-7-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045751

Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol?
The IUPAC name of spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol (CID 105477452) is spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol.
What is the SMILES notation for spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol?
The canonical SMILES for spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol is Oc1ccc2c(c1)OC1(CCNCC1)C2O.
What is the InChIKey of spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol?
The InChIKey is OTHIVHPHCZNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-8-1-2-9-10(7-8)16-12(11(9)15)3-5-13-6-4-12/h1-2,7,11,13-15H,3-6H2.
What are the key properties of spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol?
spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol has a molecular weight of 221.26 g/mol, XLogP of 0.94, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzofuran-2,4'-piperidine]-3,6-diol is sourced from PubChem (CID 105477452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).