4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol

C10H23NO2S — CID 142983660

IUPAC4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol
SMILESCCSC1(OC)CCN(C)CC1.CO
InChIInChI=1S/C9H19NOS.CH4O/c1-4-12-9(11-3)5-7-10(2)8-6-9;1-2/h4-8H2,1-3H3;2H,1H3
InChIKeyFEZZVAGKJWPVOO-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.42
Rot. Bonds3

About 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol

4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol (PubChem CID 142983660) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol.

Molecular Properties

Compound Name4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol
PubChem CID142983660
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol
SMILESCCSC1(OC)CCN(C)CC1.CO
InChIInChI=1S/C9H19NOS.CH4O/c1-4-12-9(11-3)5-7-10(2)8-6-9;1-2/h4-8H2,1-3H3;2H,1H3
InChIKeyFEZZVAGKJWPVOO-UHFFFAOYSA-N
XLogP1.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(Butylthio)-3-piperidin-1-ylpropan-2-ol
CID 2858776
1-(2-Hydroxyethylsulfanyl)-3-piperidin-1-ylpropan-2-ol
CID 54033445
4-Pentylthiomorpholin-3-ol
CID 57071520
1-(2-Ethylsulfanylethyl)-4-methoxypiperidine
CID 59751867
2-(2-Propylthiomorpholin-4-yl)ethanol
CID 67998080
1-(1-Propan-2-ylpiperidin-4-yl)sulfanylethanol
CID 70796513
1-(2-Methylsulfanylethyl)piperidin-4-ol
CID 115573405
Ethanol;4-hexylthiomorpholine
CID 144711989
Ethanol;4-pentylthiomorpholine
CID 144712000
3-Ethylsulfanyl-1-methylpiperidin-4-ol
CID 146631423
1-Ethyl-3-methylsulfanylpiperidin-4-ol
CID 154967882
1-(3-Ethylsulfanyl-2,2-dimethylpropyl)piperidin-4-ol
CID 156380025

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol?
The IUPAC name of 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol (CID 142983660) is 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol.
What is the SMILES notation for 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol?
The canonical SMILES for 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol is CCSC1(OC)CCN(C)CC1.CO.
What is the InChIKey of 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol?
The InChIKey is FEZZVAGKJWPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS.CH4O/c1-4-12-9(11-3)5-7-10(2)8-6-9;1-2/h4-8H2,1-3H3;2H,1H3.
What are the key properties of 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol?
4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol has a molecular weight of 221.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-4-methoxy-1-methylpiperidine;methanol is sourced from PubChem (CID 142983660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).