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

C13H21N3OS — CID 111823981

IUPACN'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCCCC1)c1ccsc1
InChIInChI=1S/C13H21N3OS/c1-13(17,11-5-8-18-9-11)10-15-12(14)16-6-3-2-4-7-16/h5,8-9,17H,2-4,6-7,10H2,1H3,(H2,14,15)
InChIKeyYWIRXELCGBEVHF-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.76
Rot. Bonds3

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

N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide (PubChem CID 111823981) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide
PubChem CID111823981
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCCCC1)c1ccsc1
InChIInChI=1S/C13H21N3OS/c1-13(17,11-5-8-18-9-11)10-15-12(14)16-6-3-2-4-7-16/h5,8-9,17H,2-4,6-7,10H2,1H3,(H2,14,15)
InChIKeyYWIRXELCGBEVHF-UHFFFAOYSA-N
XLogP1.76
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.76
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

N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
tert-butyl 4-[N'-(2-hydroxy-2-thiophen-3-ylpropyl)carbamimidoyl]piperazine-1-carboxylate
CID 111823945
N'-(2-hydroxy-2-thiophen-3-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119148462
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
4-(4-chlorophenyl)-N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperazine-1-carboximidamide
CID 111823913
N'-[2-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-carboximidamide
CID 122095345
N'-(2-thiophen-3-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111758200
2-(2-hydroxy-2-thiophen-3-ylpropyl)-1-propylguanidine
CID 111823975
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111654285
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111654224
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111654016
1-(cyclopropylmethyl)-3-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine
CID 111653750

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide (CID 111823981) is N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide is CC(O)(C/N=C(\N)N1CCCCC1)c1ccsc1.
What is the InChIKey of N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide?
The InChIKey is YWIRXELCGBEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(17,11-5-8-18-9-11)10-15-12(14)16-6-3-2-4-7-16/h5,8-9,17H,2-4,6-7,10H2,1H3,(H2,14,15).
What are the key properties of N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide?
N'-(2-hydroxy-2-thiophen-3-ylpropyl)piperidine-1-carboximidamide has a molecular weight of 267.40 g/mol, XLogP of 1.76, 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-3-ylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111823981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).