(2-ethoxyphenyl)-piperidin-1-ylmethanethione

C14H19NOS — CID 926138

IUPAC(2-ethoxyphenyl)-piperidin-1-ylmethanethione
SMILESCCOc1ccccc1C(=S)N1CCCCC1
InChIInChI=1S/C14H19NOS/c1-2-16-13-9-5-4-8-12(13)14(17)15-10-6-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyVCCSHVVRGWMKDC-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.25
Rot. Bonds3

About (2-ethoxyphenyl)-piperidin-1-ylmethanethione

(2-ethoxyphenyl)-piperidin-1-ylmethanethione (PubChem CID 926138) has the molecular formula C14H19NOS and a molecular weight of 249.38 g/mol. Its IUPAC name is (2-ethoxyphenyl)-piperidin-1-ylmethanethione.

Molecular Properties

Compound Name(2-ethoxyphenyl)-piperidin-1-ylmethanethione
PubChem CID926138
Molecular FormulaC14H19NOS
Molecular Weight249.38 g/mol
Exact Mass249.12
IUPAC Name(2-ethoxyphenyl)-piperidin-1-ylmethanethione
SMILESCCOc1ccccc1C(=S)N1CCCCC1
InChIInChI=1S/C14H19NOS/c1-2-16-13-9-5-4-8-12(13)14(17)15-10-6-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyVCCSHVVRGWMKDC-UHFFFAOYSA-N
XLogP3.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-ethoxyphenyl)-piperidin-1-ylmethanethione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-benzhydrylpiperazin-4-ium-1-yl)-(2-ethoxyphenyl)methanethione
CID 7478968
[2-[(4-fluorophenyl)methoxy]phenyl]-pyrrolidin-1-ylmethanethione
CID 838528
methyl 1-(2-ethoxybenzoyl)piperidine-3-carboxylate
CID 78919045
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 4926917
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(3-ethoxy-4-phenylmethoxyphenyl)-piperidin-1-ylmethanethione
CID 1142376
2-ethoxybenzoic acid;zinc
CID 172723273
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78782303
1-[2-(2-ethoxyphenyl)ethyl]piperidine
CID 21117435
potassium;2-ethoxybenzoic acid;hydride
CID 175278645

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-piperidin-1-ylmethanethione?
The IUPAC name of (2-ethoxyphenyl)-piperidin-1-ylmethanethione (CID 926138) is (2-ethoxyphenyl)-piperidin-1-ylmethanethione.
What is the SMILES notation for (2-ethoxyphenyl)-piperidin-1-ylmethanethione?
The canonical SMILES for (2-ethoxyphenyl)-piperidin-1-ylmethanethione is CCOc1ccccc1C(=S)N1CCCCC1.
What is the InChIKey of (2-ethoxyphenyl)-piperidin-1-ylmethanethione?
The InChIKey is VCCSHVVRGWMKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS/c1-2-16-13-9-5-4-8-12(13)14(17)15-10-6-3-7-11-15/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of (2-ethoxyphenyl)-piperidin-1-ylmethanethione?
(2-ethoxyphenyl)-piperidin-1-ylmethanethione has a molecular weight of 249.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-piperidin-1-ylmethanethione is sourced from PubChem (CID 926138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).