9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

C18H24N2O2 — CID 110196168

IUPAC9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1
InChIInChI=1S/C18H24N2O2/c21-16-4-10-22-18(12-16)5-8-20(9-6-18)13-14-1-2-15-3-7-19-17(15)11-14/h1-3,7,11,16,19,21H,4-6,8-10,12-13H2
InChIKeyLRDSRORMHWKELX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.67
Rot. Bonds2

About 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 110196168) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID110196168
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESOC1CCOC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1
InChIInChI=1S/C18H24N2O2/c21-16-4-10-22-18(12-16)5-8-20(9-6-18)13-14-1-2-15-3-7-19-17(15)11-14/h1-3,7,11,16,19,21H,4-6,8-10,12-13H2
InChIKeyLRDSRORMHWKELX-UHFFFAOYSA-N
XLogP2.67
TPSA48.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-(1H-indol-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 134804424
8-benzyl-1-oxa-8-azaspiro[5.5]undecan-4-ol
CID 132941698
(3S,4R)-9-[(6-methoxynaphthalen-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165417755
[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725525
8-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-ol
CID 74234956
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]-1H-indole
CID 77090131
6-[2-(1-benzylpiperidin-4-yl)ethyl]-1H-indole
CID 174880167
6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
(4S)-9-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
CID 98895506
2-(2-hydroxyethyl)-6-oxa-2-azaspiro[4.5]decan-9-ol
CID 121203771
(3S,4R)-9-[(4-chloro-3-fluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 164688391

Frequently Asked Questions

What is the IUPAC name of 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 110196168) is 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol is OC1CCOC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1.
What is the InChIKey of 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is LRDSRORMHWKELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-16-4-10-22-18(12-16)5-8-20(9-6-18)13-14-1-2-15-3-7-19-17(15)11-14/h1-3,7,11,16,19,21H,4-6,8-10,12-13H2.
What are the key properties of 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol?
9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 300.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-indol-6-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 110196168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).