1-(2-phenylpiperidin-1-yl)ethanethione

C13H17NS — CID 150861838

IUPAC1-(2-phenylpiperidin-1-yl)ethanethione
SMILESCC(=S)N1CCCCC1c1ccccc1
InChIInChI=1S/C13H17NS/c1-11(15)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKeyKSESTNYKDYYTNW-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.56
Rot. Bonds1

About 1-(2-phenylpiperidin-1-yl)ethanethione

1-(2-phenylpiperidin-1-yl)ethanethione (PubChem CID 150861838) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(2-phenylpiperidin-1-yl)ethanethione.

Molecular Properties

Compound Name1-(2-phenylpiperidin-1-yl)ethanethione
PubChem CID150861838
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-(2-phenylpiperidin-1-yl)ethanethione
SMILESCC(=S)N1CCCCC1c1ccccc1
InChIInChI=1S/C13H17NS/c1-11(15)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKeyKSESTNYKDYYTNW-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
2-methyl-2-phenyl-1-[(2R)-2-phenylpiperidin-1-yl]propane-1-thione
CID 138963814
2,2-dimethyl-1-[(2R)-2-phenylpiperidin-1-yl]butane-1-thione
CID 138963744
2,2-dimethyl-1-[(2R)-2-phenylpyrrolidin-1-yl]propane-1-thione
CID 138963743
ethyl 2-phenylpiperidine-1-carboxylate
CID 12791774
1-methyl-2-phenylazepane
CID 23447707
(2R,3R)-2,3-diacetyloxy-4-oxo-4-(2-phenylpiperidin-1-yl)butanoic acid;ethane
CID 143154399
1-[1-(1-methylcyclopropyl)ethenyl]-2-phenylpyrrolidine
CID 129194226
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
N,N-dimethyl-2-phenylpiperidin-1-amine
CID 150714431
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpiperidin-1-yl)ethanethione?
The IUPAC name of 1-(2-phenylpiperidin-1-yl)ethanethione (CID 150861838) is 1-(2-phenylpiperidin-1-yl)ethanethione.
What is the SMILES notation for 1-(2-phenylpiperidin-1-yl)ethanethione?
The canonical SMILES for 1-(2-phenylpiperidin-1-yl)ethanethione is CC(=S)N1CCCCC1c1ccccc1.
What is the InChIKey of 1-(2-phenylpiperidin-1-yl)ethanethione?
The InChIKey is KSESTNYKDYYTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-11(15)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3.
What are the key properties of 1-(2-phenylpiperidin-1-yl)ethanethione?
1-(2-phenylpiperidin-1-yl)ethanethione has a molecular weight of 219.35 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpiperidin-1-yl)ethanethione is sourced from PubChem (CID 150861838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).