4-(piperidin-4-ylsulfanylmethyl)phenol

C12H17NOS — CID 115070212

IUPAC4-(piperidin-4-ylsulfanylmethyl)phenol
SMILESOc1ccc(CSC2CCNCC2)cc1
InChIInChI=1S/C12H17NOS/c14-11-3-1-10(2-4-11)9-15-12-5-7-13-8-6-12/h1-4,12-14H,5-9H2
InChIKeyOJKZAMRESBUBLN-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.38
Rot. Bonds3

About 4-(piperidin-4-ylsulfanylmethyl)phenol

4-(piperidin-4-ylsulfanylmethyl)phenol (PubChem CID 115070212) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(piperidin-4-ylsulfanylmethyl)phenol.

Molecular Properties

Compound Name4-(piperidin-4-ylsulfanylmethyl)phenol
PubChem CID115070212
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name4-(piperidin-4-ylsulfanylmethyl)phenol
SMILESOc1ccc(CSC2CCNCC2)cc1
InChIInChI=1S/C12H17NOS/c14-11-3-1-10(2-4-11)9-15-12-5-7-13-8-6-12/h1-4,12-14H,5-9H2
InChIKeyOJKZAMRESBUBLN-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylsulfanylmethyl)phenol?
The IUPAC name of 4-(piperidin-4-ylsulfanylmethyl)phenol (CID 115070212) is 4-(piperidin-4-ylsulfanylmethyl)phenol.
What is the SMILES notation for 4-(piperidin-4-ylsulfanylmethyl)phenol?
The canonical SMILES for 4-(piperidin-4-ylsulfanylmethyl)phenol is Oc1ccc(CSC2CCNCC2)cc1.
What is the InChIKey of 4-(piperidin-4-ylsulfanylmethyl)phenol?
The InChIKey is OJKZAMRESBUBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-11-3-1-10(2-4-11)9-15-12-5-7-13-8-6-12/h1-4,12-14H,5-9H2.
What are the key properties of 4-(piperidin-4-ylsulfanylmethyl)phenol?
4-(piperidin-4-ylsulfanylmethyl)phenol has a molecular weight of 223.34 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylsulfanylmethyl)phenol is sourced from PubChem (CID 115070212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).