2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol

C16H29NO2S — CID 79920750

IUPAC2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H29NO2S/c18-8-3-14-2-1-7-17(13-14)15-4-9-19-16(12-15)5-10-20-11-6-16/h14-15,18H,1-13H2
InChIKeyXINQDCAFOBUZSE-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.53
Rot. Bonds3

About 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol

2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol (PubChem CID 79920750) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
PubChem CID79920750
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(C2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C16H29NO2S/c18-8-3-14-2-1-7-17(13-14)15-4-9-19-16(12-15)5-10-20-11-6-16/h14-15,18H,1-13H2
InChIKeyXINQDCAFOBUZSE-UHFFFAOYSA-N
XLogP2.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol with MolForge

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Related Compounds

2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
CID 79920547
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
N-methyl-1-[1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79900888
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138
[(2S)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pyrrolidin-2-yl]methanol
CID 79919781
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-yl]oxyethanol
CID 82691820
[1-(1-oxaspiro[5.5]undecan-4-yl)pyrrolidin-3-yl]methanamine
CID 79902247
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
CID 79900304
N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-amine
CID 79900305
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol (CID 79920750) is 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol is OCCC1CCCN(C2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol?
The InChIKey is XINQDCAFOBUZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c18-8-3-14-2-1-7-17(13-14)15-4-9-19-16(12-15)5-10-20-11-6-16/h14-15,18H,1-13H2.
What are the key properties of 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol?
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol has a molecular weight of 299.48 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 79920750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).