(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

C15H22N2O2 — CID 110155900

IUPAC(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESCc1cnccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C15H22N2O2/c1-12-9-16-6-3-13(12)10-17-7-5-15(14(18)11-17)4-2-8-19-15/h3,6,9,14,18H,2,4-5,7-8,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyOWFRRDOETGFLPE-GJZGRUSLSA-N
MW262.35 g/mol
LogP1.51
Rot. Bonds2

About (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol

(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (PubChem CID 110155900) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.

Molecular Properties

Compound Name(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
PubChem CID110155900
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
SMILESCc1cnccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1
InChIInChI=1S/C15H22N2O2/c1-12-9-16-6-3-13(12)10-17-7-5-15(14(18)11-17)4-2-8-19-15/h3,6,9,14,18H,2,4-5,7-8,10-11H2,1H3/t14-,15-/m0/s1
InChIKeyOWFRRDOETGFLPE-GJZGRUSLSA-N
XLogP1.51
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The IUPAC name of (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol (CID 110155900) is (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol.
What is the SMILES notation for (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The canonical SMILES for (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is Cc1cnccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1.
What is the InChIKey of (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
The InChIKey is OWFRRDOETGFLPE-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-9-16-6-3-13(12)10-17-7-5-15(14(18)11-17)4-2-8-19-15/h3,6,9,14,18H,2,4-5,7-8,10-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol?
(5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol has a molecular weight of 262.35 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-8-[(3-methyl-4-pyridinyl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol is sourced from PubChem (CID 110155900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).