2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol

C15H27NO3S — CID 82691820

IUPAC2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C15H27NO3S/c17-7-9-18-14-1-5-16(6-2-14)13-3-8-19-15(11-13)4-10-20-12-15/h13-14,17H,1-12H2
InChIKeyLDJLCDKPXSESKS-UHFFFAOYSA-N
MW301.45 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol

2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol (PubChem CID 82691820) has the molecular formula C15H27NO3S and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
PubChem CID82691820
Molecular FormulaC15H27NO3S
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(C2CCOC3(CCSC3)C2)CC1
InChIInChI=1S/C15H27NO3S/c17-7-9-18-14-1-5-16(6-2-14)13-3-8-19-15(11-13)4-10-20-12-15/h13-14,17H,1-12H2
InChIKeyLDJLCDKPXSESKS-UHFFFAOYSA-N
XLogP1.51
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol (CID 82691820) is 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol is OCCOC1CCN(C2CCOC3(CCSC3)C2)CC1.
What is the InChIKey of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol?
The InChIKey is LDJLCDKPXSESKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3S/c17-7-9-18-14-1-5-16(6-2-14)13-3-8-19-15(11-13)4-10-20-12-15/h13-14,17H,1-12H2.
What are the key properties of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol?
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol has a molecular weight of 301.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).