4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide

C15H22N2S — CID 2349995

IUPAC4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NCCc2ccccc2)CC1
InChIInChI=1S/C15H22N2S/c1-13-8-11-17(12-9-13)15(18)16-10-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyUGGQDMUIFKSRCV-UHFFFAOYSA-N
MW262.42 g/mol
LogP2.84
Rot. Bonds3

About 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide

4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide (PubChem CID 2349995) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
PubChem CID2349995
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide
SMILESCC1CCN(C(=S)NCCc2ccccc2)CC1
InChIInChI=1S/C15H22N2S/c1-13-8-11-17(12-9-13)15(18)16-10-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18)
InChIKeyUGGQDMUIFKSRCV-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
The IUPAC name of 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide (CID 2349995) is 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide.
What is the SMILES notation for 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
The canonical SMILES for 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide is CC1CCN(C(=S)NCCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
The InChIKey is UGGQDMUIFKSRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-13-8-11-17(12-9-13)15(18)16-10-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide?
4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide has a molecular weight of 262.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 2349995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).