2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol

C15H27NO2S — CID 79920547

IUPAC2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H27NO2S/c17-7-3-13-2-1-6-16(11-13)14-4-8-18-15(10-14)5-9-19-12-15/h13-14,17H,1-12H2
InChIKeyFHYYSZLARPWZCG-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.14
Rot. Bonds3

About 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol

2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol (PubChem CID 79920547) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
PubChem CID79920547
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol
SMILESOCCC1CCCN(C2CCOC3(CCSC3)C2)C1
InChIInChI=1S/C15H27NO2S/c17-7-3-13-2-1-6-16(11-13)14-4-8-18-15(10-14)5-9-19-12-15/h13-14,17H,1-12H2
InChIKeyFHYYSZLARPWZCG-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]ethanol
CID 79920750
N-methyl-1-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 79901473
2-[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)piperidin-3-yl]acetic acid
CID 79901134
[(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-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-2-yl]methanol
CID 79919988
N-(cyclopropylmethyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-4-amine
CID 115307359
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-3-carboxylic acid
CID 79894442
[4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]methanamine
CID 114961459
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79902634
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491
2-[[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814138

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol (CID 79920547) is 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol is OCCC1CCCN(C2CCOC3(CCSC3)C2)C1.
What is the InChIKey of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol?
The InChIKey is FHYYSZLARPWZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c17-7-3-13-2-1-6-16(11-13)14-4-8-18-15(10-14)5-9-19-12-15/h13-14,17H,1-12H2.
What are the key properties of 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol?
2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol has a molecular weight of 285.45 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidin-3-yl]ethanol is sourced from PubChem (CID 79920547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).