4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide

C15H22N2O2S — CID 61407004

IUPAC4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
SMILESNC(=S)c1ccc(OCCN2CCCCC2CO)cc1
InChIInChI=1S/C15H22N2O2S/c16-15(20)12-4-6-14(7-5-12)19-10-9-17-8-2-1-3-13(17)11-18/h4-7,13,18H,1-3,8-11H2,(H2,16,20)
InChIKeyHNHGWDBVGFLWSD-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.55
Rot. Bonds6

About 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide

4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide (PubChem CID 61407004) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide.

Molecular Properties

Compound Name4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
PubChem CID61407004
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide
SMILESNC(=S)c1ccc(OCCN2CCCCC2CO)cc1
InChIInChI=1S/C15H22N2O2S/c16-15(20)12-4-6-14(7-5-12)19-10-9-17-8-2-1-3-13(17)11-18/h4-7,13,18H,1-3,8-11H2,(H2,16,20)
InChIKeyHNHGWDBVGFLWSD-UHFFFAOYSA-N
XLogP1.55
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide 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

[1-[2-(4-propoxyphenoxy)ethyl]piperidin-2-yl]methanol
CID 60684684
[1-[2-[4-(aminomethyl)phenoxy]ethyl]azepan-2-yl]methanol
CID 116634275
4-[2-(2-ethylpiperidin-1-yl)ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299833
4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 78942373
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
4-[2-(4-cyclopropylpiperazin-1-yl)ethoxy]benzenecarbothioamide
CID 61441389
[(2R)-1-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 62046348
[1-[3-(3,4-dimethylphenoxy)propyl]azepan-2-yl]methanol
CID 116637387
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
[(2S)-1-(11-phenoxyundecyl)pyrrolidin-2-yl]methanol
CID 14517943
2-[2-[2-(hydroxymethyl)azepan-1-yl]ethoxy]benzonitrile
CID 116634750
4-(2-thiomorpholin-4-ylethoxy)benzenecarbothioamide
CID 43290506

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide?
The IUPAC name of 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide (CID 61407004) is 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide.
What is the SMILES notation for 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide?
The canonical SMILES for 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide is NC(=S)c1ccc(OCCN2CCCCC2CO)cc1.
What is the InChIKey of 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide?
The InChIKey is HNHGWDBVGFLWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c16-15(20)12-4-6-14(7-5-12)19-10-9-17-8-2-1-3-13(17)11-18/h4-7,13,18H,1-3,8-11H2,(H2,16,20).
What are the key properties of 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide?
4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide has a molecular weight of 294.42 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(hydroxymethyl)piperidin-1-yl]ethoxy]benzenecarbothioamide is sourced from PubChem (CID 61407004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).