5-(4-chlorophenyl)-1-methylpiperidine-2-thione

C12H14ClNS — CID 12012178

IUPAC5-(4-chlorophenyl)-1-methylpiperidine-2-thione
SMILESCN1CC(c2ccc(Cl)cc2)CCC1=S
InChIInChI=1S/C12H14ClNS/c1-14-8-10(4-7-12(14)15)9-2-5-11(13)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyFTCLELCCXKHRQL-UHFFFAOYSA-N
MW239.77 g/mol
LogP3.48
Rot. Bonds1

About 5-(4-chlorophenyl)-1-methylpiperidine-2-thione

5-(4-chlorophenyl)-1-methylpiperidine-2-thione (PubChem CID 12012178) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methylpiperidine-2-thione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methylpiperidine-2-thione
PubChem CID12012178
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name5-(4-chlorophenyl)-1-methylpiperidine-2-thione
SMILESCN1CC(c2ccc(Cl)cc2)CCC1=S
InChIInChI=1S/C12H14ClNS/c1-14-8-10(4-7-12(14)15)9-2-5-11(13)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3
InChIKeyFTCLELCCXKHRQL-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-(4-chlorophenyl)-1-methylpiperidine-2-thione?
The IUPAC name of 5-(4-chlorophenyl)-1-methylpiperidine-2-thione (CID 12012178) is 5-(4-chlorophenyl)-1-methylpiperidine-2-thione.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methylpiperidine-2-thione?
The canonical SMILES for 5-(4-chlorophenyl)-1-methylpiperidine-2-thione is CN1CC(c2ccc(Cl)cc2)CCC1=S.
What is the InChIKey of 5-(4-chlorophenyl)-1-methylpiperidine-2-thione?
The InChIKey is FTCLELCCXKHRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c1-14-8-10(4-7-12(14)15)9-2-5-11(13)6-3-9/h2-3,5-6,10H,4,7-8H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-methylpiperidine-2-thione?
5-(4-chlorophenyl)-1-methylpiperidine-2-thione has a molecular weight of 239.77 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methylpiperidine-2-thione is sourced from PubChem (CID 12012178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).