N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide

C14H23N3OS — CID 111823807

IUPACN'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C)(O)c2cccs2)C1
InChIInChI=1S/C14H23N3OS/c1-11-5-3-7-17(9-11)13(15)16-10-14(2,18)12-6-4-8-19-12/h4,6,8,11,18H,3,5,7,9-10H2,1-2H3,(H2,15,16)
InChIKeyKGJYHZUWKYFMAG-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.00
Rot. Bonds3

About N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide

N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 111823807) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide
PubChem CID111823807
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/CC(C)(O)c2cccs2)C1
InChIInChI=1S/C14H23N3OS/c1-11-5-3-7-17(9-11)13(15)16-10-14(2,18)12-6-4-8-19-12/h4,6,8,11,18H,3,5,7,9-10H2,1-2H3,(H2,15,16)
InChIKeyKGJYHZUWKYFMAG-UHFFFAOYSA-N
XLogP2.00
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.00
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'}

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Related Compounds

3-methyl-N'-(2-methyl-2-thiophen-2-ylpropyl)piperidine-1-carboximidamide
CID 111813467
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119148458
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 109419970
1-(cyclobutylmethyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine
CID 111823895
ethyl 4-[[N'-(2-hydroxy-2-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111823829
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465179
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
3-methyl-N'-(3-phenoxypropyl)piperidine-1-carboximidamide
CID 111036940
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide (CID 111823807) is N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/CC(C)(O)c2cccs2)C1.
What is the InChIKey of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is KGJYHZUWKYFMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-5-3-7-17(9-11)13(15)16-10-14(2,18)12-6-4-8-19-12/h4,6,8,11,18H,3,5,7,9-10H2,1-2H3,(H2,15,16).
What are the key properties of N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide?
N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 281.42 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111823807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).