N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide

C13H20ClN3OS — CID 111465910

IUPACN'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H20ClN3OS/c1-9-4-6-17(7-5-9)13(15)16-8-10(18)11-2-3-12(14)19-11/h2-3,9-10,18H,4-8H2,1H3,(H2,15,16)
InChIKeyFNTYASYCFYBBDQ-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.48
Rot. Bonds3

About N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide

N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide (PubChem CID 111465910) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide
PubChem CID111465910
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC NameN'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/CC(O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C13H20ClN3OS/c1-9-4-6-17(7-5-9)13(15)16-8-10(18)11-2-3-12(14)19-11/h2-3,9-10,18H,4-8H2,1H3,(H2,15,16)
InChIKeyFNTYASYCFYBBDQ-UHFFFAOYSA-N
XLogP2.48
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide (CID 111465910) is N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/CC(O)c2ccc(Cl)s2)CC1.
What is the InChIKey of N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide?
The InChIKey is FNTYASYCFYBBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-9-4-6-17(7-5-9)13(15)16-8-10(18)11-2-3-12(14)19-11/h2-3,9-10,18H,4-8H2,1H3,(H2,15,16).
What are the key properties of N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide?
N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide has a molecular weight of 301.84 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111465910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).