4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide

C18H20N2OS — CID 3050119

IUPAC4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide
SMILESOC1(c2ccccc2)CCN(C(=S)Nc2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(15-7-3-1-4-8-15)11-13-20(14-12-18)17(22)19-16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,19,22)
InChIKeyYVNXYAIKAYYYBQ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.37
Rot. Bonds2

About 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide

4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide (PubChem CID 3050119) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide
PubChem CID3050119
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide
SMILESOC1(c2ccccc2)CCN(C(=S)Nc2ccccc2)CC1
InChIInChI=1S/C18H20N2OS/c21-18(15-7-3-1-4-8-15)11-13-20(14-12-18)17(22)19-16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,19,22)
InChIKeyYVNXYAIKAYYYBQ-UHFFFAOYSA-N
XLogP3.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
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 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide?
The IUPAC name of 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide (CID 3050119) is 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide?
The canonical SMILES for 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide is OC1(c2ccccc2)CCN(C(=S)Nc2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide?
The InChIKey is YVNXYAIKAYYYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c21-18(15-7-3-1-4-8-15)11-13-20(14-12-18)17(22)19-16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,19,22).
What are the key properties of 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide?
4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide has a molecular weight of 312.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,4-diphenylpiperidine-1-carbothioamide is sourced from PubChem (CID 3050119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).