N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide

C12H15FN2OS — CID 942767

IUPACN-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
SMILESOC1CCN(C(=S)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2OS/c13-9-1-3-10(4-2-9)14-12(17)15-7-5-11(16)6-8-15/h1-4,11,16H,5-8H2,(H,14,17)
InChIKeyKWDCFIJLUVMCMR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.98
Rot. Bonds1

About N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide

N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide (PubChem CID 942767) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
PubChem CID942767
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC NameN-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
SMILESOC1CCN(C(=S)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C12H15FN2OS/c13-9-1-3-10(4-2-9)14-12(17)15-7-5-11(16)6-8-15/h1-4,11,16H,5-8H2,(H,14,17)
InChIKeyKWDCFIJLUVMCMR-UHFFFAOYSA-N
XLogP1.98
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.98
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

(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide
CID 8669559
N-(3-chloro-4-methylphenyl)-4-hydroxypiperidine-1-carbothioamide
CID 8677257
N-(4-fluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 8624615
N-(4-fluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carbothioamide
CID 8627110
4-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)piperidine-1-carbothioamide
CID 1430435
4-benzhydryl-N-(4-fluorophenyl)piperazine-1-carbothioamide
CID 1076537
N-(4-fluorophenyl)-4-(2-phenylethenyl)piperazine-1-carbothioamide
CID 23912111
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)piperidine-1-carbothioamide
CID 43815871
(E)-N-(4-fluorophenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-4-oxobut-2-enamide
CID 110007435
1-N,4-N-bis(4-chlorophenyl)piperazine-1,4-dicarbothioamide
CID 4076221
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide
CID 4982600
N-(4-chlorophenyl)-4-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide
CID 151969073

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The IUPAC name of N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide (CID 942767) is N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The canonical SMILES for N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide is OC1CCN(C(=S)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
The InChIKey is KWDCFIJLUVMCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-9-1-3-10(4-2-9)14-12(17)15-7-5-11(16)6-8-15/h1-4,11,16H,5-8H2,(H,14,17).
What are the key properties of N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide?
N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide has a molecular weight of 254.33 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide is sourced from PubChem (CID 942767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).