(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione

C14H19NO2S — CID 888600

IUPAC(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione
SMILESCOc1ccc(OC)c(C(=S)N2CCCCC2)c1
InChIInChI=1S/C14H19NO2S/c1-16-11-6-7-13(17-2)12(10-11)14(18)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyPYBUULFAIJNQFF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.87
Rot. Bonds3

About (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione

(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione (PubChem CID 888600) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione
PubChem CID888600
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione
SMILESCOc1ccc(OC)c(C(=S)N2CCCCC2)c1
InChIInChI=1S/C14H19NO2S/c1-16-11-6-7-13(17-2)12(10-11)14(18)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyPYBUULFAIJNQFF-UHFFFAOYSA-N
XLogP2.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dimethoxyphenyl)-piperidin-1-ylmethanethione
CID 15398722
(2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
CID 879066
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
cyclohexyl-(2,5-dimethoxyphenyl)methanone;cyclohexyl-(2-hydroxy-5-methoxyphenyl)methanone
CID 68924260

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione?
The IUPAC name of (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione (CID 888600) is (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione?
The canonical SMILES for (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione is COc1ccc(OC)c(C(=S)N2CCCCC2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione?
The InChIKey is PYBUULFAIJNQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-16-11-6-7-13(17-2)12(10-11)14(18)15-8-4-3-5-9-15/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione?
(2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione has a molecular weight of 265.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 888600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).