4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

C17H26N2O4 — CID 135113041

IUPAC4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1ncccc1CN1CCC2(CC1)CC(O)(CO)CCO2
InChIInChI=1S/C17H26N2O4/c1-22-15-14(3-2-7-18-15)11-19-8-4-17(5-9-19)12-16(21,13-20)6-10-23-17/h2-3,7,20-21H,4-6,8-13H2,1H3
InChIKeyXEZFYOLJQWFKGA-UHFFFAOYSA-N
MW322.40 g/mol
LogP0.96
Rot. Bonds4

About 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol

4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 135113041) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID135113041
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCOc1ncccc1CN1CCC2(CC1)CC(O)(CO)CCO2
InChIInChI=1S/C17H26N2O4/c1-22-15-14(3-2-7-18-15)11-19-8-4-17(5-9-19)12-16(21,13-20)6-10-23-17/h2-3,7,20-21H,4-6,8-13H2,1H3
InChIKeyXEZFYOLJQWFKGA-UHFFFAOYSA-N
XLogP0.96
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol with MolForge

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Related Compounds

9-[(2-methoxy-3-pyridinyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747101
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155830849
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97474145
benzyl 9-[(2-methoxy-3-pyridinyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane-1-carboxylate
CID 134807667
7-[(2-methoxy-3-pyridinyl)methyl]-3-phenoxy-1-oxa-7-azaspiro[4.4]nonane
CID 134071071
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475999
(5R,9S)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 171695653
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 22248288
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965
4-(hydroxymethyl)-1-(quinolin-8-ylmethyl)piperidin-4-ol
CID 56760267

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 135113041) is 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is COc1ncccc1CN1CCC2(CC1)CC(O)(CO)CCO2.
What is the InChIKey of 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is XEZFYOLJQWFKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-22-15-14(3-2-7-18-15)11-19-8-4-17(5-9-19)12-16(21,13-20)6-10-23-17/h2-3,7,20-21H,4-6,8-13H2,1H3.
What are the key properties of 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol?
4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 322.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-9-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 135113041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).