(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane

C15H28N2O2 — CID 110155857

IUPAC(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(C2CCN(C)CC2)CC[C@@]12CCCO2
InChIInChI=1S/C15H28N2O2/c1-16-8-4-13(5-9-16)17-10-7-15(6-3-11-19-15)14(12-17)18-2/h13-14H,3-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyVEVSPAJAFPLURR-GJZGRUSLSA-N
MW268.40 g/mol
LogP1.35
Rot. Bonds2

About (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane

(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 110155857) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID110155857
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCO[C@H]1CN(C2CCN(C)CC2)CC[C@@]12CCCO2
InChIInChI=1S/C15H28N2O2/c1-16-8-4-13(5-9-16)17-10-7-15(6-3-11-19-15)14(12-17)18-2/h13-14H,3-12H2,1-2H3/t14-,15-/m0/s1
InChIKeyVEVSPAJAFPLURR-GJZGRUSLSA-N
XLogP1.35
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane (CID 110155857) is (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane is CO[C@H]1CN(C2CCN(C)CC2)CC[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VEVSPAJAFPLURR-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-8-4-13(5-9-16)17-10-7-15(6-3-11-19-15)14(12-17)18-2/h13-14H,3-12H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane?
(5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 268.40 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-8-(1-methylpiperidin-4-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 110155857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).