(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide

C12H15FN2OS — CID 8669559

IUPAC(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide
SMILESO[C@@H]1CCCN(C(=S)Nc2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2OS/c13-9-3-5-10(6-4-9)14-12(17)15-7-1-2-11(16)8-15/h3-6,11,16H,1-2,7-8H2,(H,14,17)/t11-/m1/s1
InChIKeyUGTWZOFYMFATPI-LLVKDONJSA-N
MW254.33 g/mol
LogP1.98
Rot. Bonds1

About (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide

(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide (PubChem CID 8669559) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide.

Molecular Properties

Compound Name(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide
PubChem CID8669559
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name(3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide
SMILESO[C@@H]1CCCN(C(=S)Nc2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2OS/c13-9-3-5-10(6-4-9)14-12(17)15-7-1-2-11(16)8-15/h3-6,11,16H,1-2,7-8H2,(H,14,17)/t11-/m1/s1
InChIKeyUGTWZOFYMFATPI-LLVKDONJSA-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

N-(4-fluorophenyl)-4-hydroxypiperidine-1-carbothioamide
CID 942767
(3R)-N-(3-chloro-4-methylphenyl)-3-hydroxypiperidine-1-carbothioamide
CID 8669572
(3R)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 8628249
(3S)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 8628247
N-(4-fluorophenyl)-4-methyl-1,4-diazepane-1-carbothioamide
CID 8624615
(3S)-3-hydroxy-N-(2-methylphenyl)piperidine-1-carbothioamide
CID 8628233
(3R)-N-(3,5-difluorophenyl)-3-methylpiperidine-1-carbothioamide
CID 27460717
(3S)-3-methyl-N-phenylpiperidine-1-carbothioamide
CID 785499
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336291
(3R)-3-methyl-N-(4-propan-2-ylphenyl)piperidine-1-carbothioamide
CID 2545018
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide?
The IUPAC name of (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide (CID 8669559) is (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide.
What is the SMILES notation for (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide?
The canonical SMILES for (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide is O[C@@H]1CCCN(C(=S)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide?
The InChIKey is UGTWZOFYMFATPI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15FN2OS/c13-9-3-5-10(6-4-9)14-12(17)15-7-1-2-11(16)8-15/h3-6,11,16H,1-2,7-8H2,(H,14,17)/t11-/m1/s1.
What are the key properties of (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide?
(3R)-N-(4-fluorophenyl)-3-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 (3R)-N-(4-fluorophenyl)-3-hydroxypiperidine-1-carbothioamide is sourced from PubChem (CID 8669559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).