methyl N-phenylpiperidine-4-carboximidothioate

C13H18N2S — CID 143502592

IUPACmethyl N-phenylpiperidine-4-carboximidothioate
SMILESCS/C(=N\c1ccccc1)C1CCNCC1
InChIInChI=1S/C13H18N2S/c1-16-13(11-7-9-14-10-8-11)15-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/b15-13-
InChIKeyUOVWXEUAOBEQOM-SQFISAMPSA-N
MW234.37 g/mol
LogP3.08
Rot. Bonds2

About methyl N-phenylpiperidine-4-carboximidothioate

methyl N-phenylpiperidine-4-carboximidothioate (PubChem CID 143502592) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is methyl N-phenylpiperidine-4-carboximidothioate.

Molecular Properties

Compound Namemethyl N-phenylpiperidine-4-carboximidothioate
PubChem CID143502592
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC Namemethyl N-phenylpiperidine-4-carboximidothioate
SMILESCS/C(=N\c1ccccc1)C1CCNCC1
InChIInChI=1S/C13H18N2S/c1-16-13(11-7-9-14-10-8-11)15-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/b15-13-
InChIKeyUOVWXEUAOBEQOM-SQFISAMPSA-N
XLogP3.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261
4-(2-methoxy-1-phenylethenyl)piperidine
CID 67125303
N-(2-methylsulfanylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119263530
4-[(Z)-2-methoxy-1-phenylethenyl]piperidine;hydrochloride
CID 67125301
1-phenyl-1-piperidin-4-ylethanol
CID 54545036
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
methanamine;4-phenylpiperidine
CID 143444696
1-methyl-3-phenyl-1-(2-piperidin-4-ylethyl)urea
CID 54945242
methyl N-(diaminomethylidene)-N'-phenylcarbamimidothioate;hydroiodide
CID 117067087
piperidine-4-carbonitrile;toluene
CID 174346511
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144

Frequently Asked Questions

What is the IUPAC name of methyl N-phenylpiperidine-4-carboximidothioate?
The IUPAC name of methyl N-phenylpiperidine-4-carboximidothioate (CID 143502592) is methyl N-phenylpiperidine-4-carboximidothioate.
What is the SMILES notation for methyl N-phenylpiperidine-4-carboximidothioate?
The canonical SMILES for methyl N-phenylpiperidine-4-carboximidothioate is CS/C(=N\c1ccccc1)C1CCNCC1.
What is the InChIKey of methyl N-phenylpiperidine-4-carboximidothioate?
The InChIKey is UOVWXEUAOBEQOM-SQFISAMPSA-N. The full InChI is InChI=1S/C13H18N2S/c1-16-13(11-7-9-14-10-8-11)15-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3/b15-13-.
What are the key properties of methyl N-phenylpiperidine-4-carboximidothioate?
methyl N-phenylpiperidine-4-carboximidothioate has a molecular weight of 234.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-phenylpiperidine-4-carboximidothioate is sourced from PubChem (CID 143502592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).