9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

C16H24N2O3 — CID 110196171

IUPAC9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1cccc(CN2CCC3(CC2)CC(O)CCO3)n1
InChIInChI=1S/C16H24N2O3/c1-20-15-4-2-3-13(17-15)12-18-8-6-16(7-9-18)11-14(19)5-10-21-16/h2-4,14,19H,5-12H2,1H3
InChIKeyQEKWCQPAZNNJKI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.60
Rot. Bonds3

About 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 110196171) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID110196171
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1cccc(CN2CCC3(CC2)CC(O)CCO3)n1
InChIInChI=1S/C16H24N2O3/c1-20-15-4-2-3-13(17-15)12-18-8-6-16(7-9-18)11-14(19)5-10-21-16/h2-4,14,19H,5-12H2,1H3
InChIKeyQEKWCQPAZNNJKI-UHFFFAOYSA-N
XLogP1.60
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 110196171) is 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is COc1cccc(CN2CCC3(CC2)CC(O)CCO3)n1.
What is the InChIKey of 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is QEKWCQPAZNNJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-15-4-2-3-13(17-15)12-18-8-6-16(7-9-18)11-14(19)5-10-21-16/h2-4,14,19H,5-12H2,1H3.
What are the key properties of 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 292.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-methoxy-2-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 110196171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).