8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol

C19H27NO — CID 114819645

IUPAC8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol
SMILESOC1(C2NCCc3ccccc32)CCC2(CCCC2)CC1
InChIInChI=1S/C19H27NO/c21-19(12-10-18(11-13-19)8-3-4-9-18)17-16-6-2-1-5-15(16)7-14-20-17/h1-2,5-6,17,20-21H,3-4,7-14H2
InChIKeySNKUUDRZWSNXSG-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.74
Rot. Bonds1

About 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol

8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol (PubChem CID 114819645) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol
PubChem CID114819645
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol
SMILESOC1(C2NCCc3ccccc32)CCC2(CCCC2)CC1
InChIInChI=1S/C19H27NO/c21-19(12-10-18(11-13-19)8-3-4-9-18)17-16-6-2-1-5-15(16)7-14-20-17/h1-2,5-6,17,20-21H,3-4,7-14H2
InChIKeySNKUUDRZWSNXSG-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
CID 80561247
3-methoxy-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
CID 106873973
1-(2,3-dihydro-1H-isoindol-1-yl)cyclobutan-1-ol
CID 79080572
2-methylsulfonyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclopentan-1-ol
CID 65050091
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 65106578
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
1-prop-1-en-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 79177948
1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
CID 65041706
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
sodium (1R)-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 122531352
1,2,3,4-tetrahydroisoquinoline-1-carboxamide;dihydrochloride
CID 173135216

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol?
The IUPAC name of 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol (CID 114819645) is 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol.
What is the SMILES notation for 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol?
The canonical SMILES for 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol is OC1(C2NCCc3ccccc32)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol?
The InChIKey is SNKUUDRZWSNXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c21-19(12-10-18(11-13-19)8-3-4-9-18)17-16-6-2-1-5-15(16)7-14-20-17/h1-2,5-6,17,20-21H,3-4,7-14H2.
What are the key properties of 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol?
8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol has a molecular weight of 285.43 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,4-tetrahydroisoquinolin-1-yl)spiro[4.5]decan-8-ol is sourced from PubChem (CID 114819645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).