4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol

C10H21NOS — CID 115695633

IUPAC4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol
SMILESCSCCCN1CCC(C)(O)CC1
InChIInChI=1S/C10H21NOS/c1-10(12)4-7-11(8-5-10)6-3-9-13-2/h12H,3-9H2,1-2H3
InChIKeyIKVZAIXSXREYQC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.59
Rot. Bonds4

About 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol

4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol (PubChem CID 115695633) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol
PubChem CID115695633
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol
SMILESCSCCCN1CCC(C)(O)CC1
InChIInChI=1S/C10H21NOS/c1-10(12)4-7-11(8-5-10)6-3-9-13-2/h12H,3-9H2,1-2H3
InChIKeyIKVZAIXSXREYQC-UHFFFAOYSA-N
XLogP1.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol (CID 115695633) is 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol is CSCCCN1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol?
The InChIKey is IKVZAIXSXREYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-10(12)4-7-11(8-5-10)6-3-9-13-2/h12H,3-9H2,1-2H3.
What are the key properties of 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol?
4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol has a molecular weight of 203.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylsulfanylpropyl)piperidin-4-ol is sourced from PubChem (CID 115695633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).