4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide

C19H22N2OS — CID 3050126

IUPAC4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide
SMILESCc1ccccc1NC(=S)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c1-15-7-5-6-10-17(15)20-18(23)21-13-11-19(22,12-14-21)16-8-3-2-4-9-16/h2-10,22H,11-14H2,1H3,(H,20,23)
InChIKeyWQYWXYBRTAEXHP-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.68
Rot. Bonds2

About 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide

4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide (PubChem CID 3050126) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide
PubChem CID3050126
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide
SMILESCc1ccccc1NC(=S)N1CCC(O)(c2ccccc2)CC1
InChIInChI=1S/C19H22N2OS/c1-15-7-5-6-10-17(15)20-18(23)21-13-11-19(22,12-14-21)16-8-3-2-4-9-16/h2-10,22H,11-14H2,1H3,(H,20,23)
InChIKeyWQYWXYBRTAEXHP-UHFFFAOYSA-N
XLogP3.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[hydroxy(diphenyl)methyl]-N-[4-(trifluoromethyl)phenyl]piperidine-1-carbothioamide
CID 17312686
4-[hydroxy(diphenyl)methyl]-N-(4-propylphenyl)piperidine-1-carbothioamide
CID 70681544
N-[4-(dimethylamino)phenyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
CID 70689958
1-(2,4-Dimethylphenyl)-3-(2-hydroxy-2-phenylethyl)thiourea
CID 2918685
4-hydroxy-N-phenyl-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxamide
CID 6459805
4-[hydroxy(diphenyl)methyl]-N-(4-piperidin-1-ylphenyl)piperidine-1-carbothioamide
CID 70683659
N-[4-(diethylamino)phenyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
CID 70689959
3-[(dimethylamino)methyl]-4-hydroxy-N,4-diphenylpiperidine-1-carboxamide;hydrochloride
CID 162655156
N-(4-fluorophenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide
CID 1934050
4-(4-fluorophenyl)-N-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxamide
CID 23071955
4-[hydroxy(diphenyl)methyl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carbothioamide
CID 70683658
4-[hydroxy(diphenyl)methyl]-N-phenylpiperidine-1-carbothioamide
CID 1282172

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide?
The IUPAC name of 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide (CID 3050126) is 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide.
What is the SMILES notation for 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide?
The canonical SMILES for 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide is Cc1ccccc1NC(=S)N1CCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide?
The InChIKey is WQYWXYBRTAEXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-15-7-5-6-10-17(15)20-18(23)21-13-11-19(22,12-14-21)16-8-3-2-4-9-16/h2-10,22H,11-14H2,1H3,(H,20,23).
What are the key properties of 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide?
4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide has a molecular weight of 326.47 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide is sourced from PubChem (CID 3050126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).