1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol

C13H19NOS — CID 763004

IUPAC1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol
SMILESCSc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C13H19NOS/c1-16-13-4-2-11(3-5-13)10-14-8-6-12(15)7-9-14/h2-5,12,15H,6-10H2,1H3
InChIKeySARWGURAPCRUQT-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.37
Rot. Bonds3

About 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol

1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol (PubChem CID 763004) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol
PubChem CID763004
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol
SMILESCSc1ccc(CN2CCC(O)CC2)cc1
InChIInChI=1S/C13H19NOS/c1-16-13-4-2-11(3-5-13)10-14-8-6-12(15)7-9-14/h2-5,12,15H,6-10H2,1H3
InChIKeySARWGURAPCRUQT-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol (CID 763004) is 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol is CSc1ccc(CN2CCC(O)CC2)cc1.
What is the InChIKey of 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol?
The InChIKey is SARWGURAPCRUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-16-13-4-2-11(3-5-13)10-14-8-6-12(15)7-9-14/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol?
1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol has a molecular weight of 237.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfanylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 763004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).