(3-hydroxyphenyl)-piperidin-1-ylmethanethione

C12H15NOS — CID 799882

IUPAC(3-hydroxyphenyl)-piperidin-1-ylmethanethione
SMILESOc1cccc(C(=S)N2CCCCC2)c1
InChIInChI=1S/C12H15NOS/c14-11-6-4-5-10(9-11)12(15)13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2
InChIKeyOCLDLRSSRNPRIZ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.55
Rot. Bonds1

About (3-hydroxyphenyl)-piperidin-1-ylmethanethione

(3-hydroxyphenyl)-piperidin-1-ylmethanethione (PubChem CID 799882) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is (3-hydroxyphenyl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(3-hydroxyphenyl)-piperidin-1-ylmethanethione
PubChem CID799882
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name(3-hydroxyphenyl)-piperidin-1-ylmethanethione
SMILESOc1cccc(C(=S)N2CCCCC2)c1
InChIInChI=1S/C12H15NOS/c14-11-6-4-5-10(9-11)12(15)13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2
InChIKeyOCLDLRSSRNPRIZ-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-piperidin-1-ylmethanethione?
The IUPAC name of (3-hydroxyphenyl)-piperidin-1-ylmethanethione (CID 799882) is (3-hydroxyphenyl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (3-hydroxyphenyl)-piperidin-1-ylmethanethione?
The canonical SMILES for (3-hydroxyphenyl)-piperidin-1-ylmethanethione is Oc1cccc(C(=S)N2CCCCC2)c1.
What is the InChIKey of (3-hydroxyphenyl)-piperidin-1-ylmethanethione?
The InChIKey is OCLDLRSSRNPRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c14-11-6-4-5-10(9-11)12(15)13-7-2-1-3-8-13/h4-6,9,14H,1-3,7-8H2.
What are the key properties of (3-hydroxyphenyl)-piperidin-1-ylmethanethione?
(3-hydroxyphenyl)-piperidin-1-ylmethanethione has a molecular weight of 221.33 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 799882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).