3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine

C14H25NO2S — CID 79894474

IUPAC3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
SMILESC1CNCC(OC2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C14H25NO2S/c1-2-13(11-15-6-1)17-12-3-7-16-14(10-12)4-8-18-9-5-14/h12-13,15H,1-11H2
InChIKeyLANIAVBJQXOCCU-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.20
Rot. Bonds2

About 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine

3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine (PubChem CID 79894474) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine.

Molecular Properties

Compound Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
PubChem CID79894474
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Name3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine
SMILESC1CNCC(OC2CCOC3(CCSCC3)C2)C1
InChIInChI=1S/C14H25NO2S/c1-2-13(11-15-6-1)17-12-3-7-16-14(10-12)4-8-18-9-5-14/h12-13,15H,1-11H2
InChIKeyLANIAVBJQXOCCU-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-oxaspiro[3.5]nonan-8-yloxy)pyrrolidine
CID 79894162
1-oxa-9-thiaspiro[5.5]undecan-4-yl(piperidin-3-yl)methanol
CID 80559224
(3R)-3-[(3R)-piperidin-3-yl]oxypiperidine
CID 142756272
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)azetidine
CID 83065900
3-(oxan-4-yloxy)piperidine;hydrochloride
CID 167716540
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethanamine
CID 79893870
3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine
CID 79894785
3-(6-oxa-2-thiaspiro[4.5]decan-9-ylmethyl)piperidine
CID 79920471
2-methyl-6-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxymethyl)morpholine
CID 102633738
2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclopentan-1-amine
CID 113395292
4-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)azepan-4-ol
CID 103982929
3-(6-oxaspiro[4.5]decan-9-yl)piperidine
CID 104680600

Frequently Asked Questions

What is the IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine?
The IUPAC name of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine (CID 79894474) is 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine.
What is the SMILES notation for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine?
The canonical SMILES for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine is C1CNCC(OC2CCOC3(CCSCC3)C2)C1.
What is the InChIKey of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine?
The InChIKey is LANIAVBJQXOCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-13(11-15-6-1)17-12-3-7-16-14(10-12)4-8-18-9-5-14/h12-13,15H,1-11H2.
What are the key properties of 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine?
3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine has a molecular weight of 271.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)piperidine is sourced from PubChem (CID 79894474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).