2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine

C16H29NO2S — CID 79894016

IUPAC2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine
SMILESC1CCC(CCOC2CCOC3(CCSCC3)C2)NC1
InChIInChI=1S/C16H29NO2S/c1-2-8-17-14(3-1)4-9-18-15-5-10-19-16(13-15)6-11-20-12-7-16/h14-15,17H,1-13H2
InChIKeyWBMGEMCJJCKALQ-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.98
Rot. Bonds4

About 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine

2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine (PubChem CID 79894016) has the molecular formula C16H29NO2S and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine
PubChem CID79894016
Molecular FormulaC16H29NO2S
Molecular Weight299.48 g/mol
Exact Mass299.19
IUPAC Name2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine
SMILESC1CCC(CCOC2CCOC3(CCSCC3)C2)NC1
InChIInChI=1S/C16H29NO2S/c1-2-8-17-14(3-1)4-9-18-15-5-10-19-16(13-15)6-11-20-12-7-16/h14-15,17H,1-13H2
InChIKeyWBMGEMCJJCKALQ-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine?
The IUPAC name of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine (CID 79894016) is 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine is C1CCC(CCOC2CCOC3(CCSCC3)C2)NC1.
What is the InChIKey of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine?
The InChIKey is WBMGEMCJJCKALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2S/c1-2-8-17-14(3-1)4-9-18-15-5-10-19-16(13-15)6-11-20-12-7-16/h14-15,17H,1-13H2.
What are the key properties of 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine?
2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine has a molecular weight of 299.48 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yloxy)ethyl]piperidine is sourced from PubChem (CID 79894016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).