8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride

C16H22ClNO4 — CID 82019296

IUPAC8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride
SMILESCl.NC1C(O)c2ccc3c(c2OC12CCCCC2)OCCO3
InChIInChI=1S/C16H21NO4.ClH/c17-15-12(18)10-4-5-11-14(20-9-8-19-11)13(10)21-16(15)6-2-1-3-7-16;/h4-5,12,15,18H,1-3,6-9,17H2;1H
InChIKeyLPROTRZSWJELIV-UHFFFAOYSA-N
MW327.81 g/mol
LogP2.34
Rot. Bonds

About 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride

8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride (PubChem CID 82019296) has the molecular formula C16H22ClNO4 and a molecular weight of 327.81 g/mol. Its IUPAC name is 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride.

Molecular Properties

Compound Name8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride
PubChem CID82019296
Molecular FormulaC16H22ClNO4
Molecular Weight327.81 g/mol
Exact Mass327.12
IUPAC Name8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride
SMILESCl.NC1C(O)c2ccc3c(c2OC12CCCCC2)OCCO3
InChIInChI=1S/C16H21NO4.ClH/c17-15-12(18)10-4-5-11-14(20-9-8-19-11)13(10)21-16(15)6-2-1-3-7-16;/h4-5,12,15,18H,1-3,6-9,17H2;1H
InChIKeyLPROTRZSWJELIV-UHFFFAOYSA-N
XLogP2.34
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride with MolForge

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Related Compounds

3-amino-6-chlorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 82020755
3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride
CID 82020702
3-amino-7-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol;hydrochloride
CID 82020766
spiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,3'-pyrrolidine]-7-ol
CID 82045930
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
spiro[6,7-dihydro-[1,3]dioxolo[4,5-h]chromene-8,1'-cyclopentane]-6-amine
CID 82462829
6-cyclopropyl-2,3-dihydro-1,4-benzodioxin-5-amine
CID 178072510
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1-carboxylic acid
CID 117442436
6-[1-(aminomethyl)cyclopentyl]-2,3-dihydro-1,4-benzodioxin-5-ol
CID 117376467
1-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentane-1-carboxylic acid
CID 117410209
1-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117294683

Frequently Asked Questions

What is the IUPAC name of 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride?
The IUPAC name of 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride (CID 82019296) is 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride.
What is the SMILES notation for 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride?
The canonical SMILES for 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride is Cl.NC1C(O)c2ccc3c(c2OC12CCCCC2)OCCO3.
What is the InChIKey of 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride?
The InChIKey is LPROTRZSWJELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4.ClH/c17-15-12(18)10-4-5-11-14(20-9-8-19-11)13(10)21-16(15)6-2-1-3-7-16;/h4-5,12,15,18H,1-3,6-9,17H2;1H.
What are the key properties of 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride?
8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-aminospiro[2,3,7,8-tetrahydropyrano[3,2-h][1,4]benzodioxine-9,1'-cyclohexane]-7-ol;hydrochloride is sourced from PubChem (CID 82019296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).