2-methoxy-4-(1-methylsulfanylethyl)piperidine

C9H19NOS — CID 167283918

IUPAC2-methoxy-4-(1-methylsulfanylethyl)piperidine
SMILESCOC1CC(C(C)SC)CCN1
InChIInChI=1S/C9H19NOS/c1-7(12-3)8-4-5-10-9(6-8)11-2/h7-10H,4-6H2,1-3H3
InChIKeyPYJIHGCFRLXBTL-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.71
Rot. Bonds3

About 2-methoxy-4-(1-methylsulfanylethyl)piperidine

2-methoxy-4-(1-methylsulfanylethyl)piperidine (PubChem CID 167283918) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylsulfanylethyl)piperidine.

Molecular Properties

Compound Name2-methoxy-4-(1-methylsulfanylethyl)piperidine
PubChem CID167283918
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methoxy-4-(1-methylsulfanylethyl)piperidine
SMILESCOC1CC(C(C)SC)CCN1
InChIInChI=1S/C9H19NOS/c1-7(12-3)8-4-5-10-9(6-8)11-2/h7-10H,4-6H2,1-3H3
InChIKeyPYJIHGCFRLXBTL-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylsulfanylethyl)piperidine?
The IUPAC name of 2-methoxy-4-(1-methylsulfanylethyl)piperidine (CID 167283918) is 2-methoxy-4-(1-methylsulfanylethyl)piperidine.
What is the SMILES notation for 2-methoxy-4-(1-methylsulfanylethyl)piperidine?
The canonical SMILES for 2-methoxy-4-(1-methylsulfanylethyl)piperidine is COC1CC(C(C)SC)CCN1.
What is the InChIKey of 2-methoxy-4-(1-methylsulfanylethyl)piperidine?
The InChIKey is PYJIHGCFRLXBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-7(12-3)8-4-5-10-9(6-8)11-2/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-4-(1-methylsulfanylethyl)piperidine?
2-methoxy-4-(1-methylsulfanylethyl)piperidine has a molecular weight of 189.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylsulfanylethyl)piperidine is sourced from PubChem (CID 167283918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).