N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide

C15H23N3O — CID 111823571

IUPACN'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCCCC1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-15(19,13-8-4-2-5-9-13)12-17-14(16)18-10-6-3-7-11-18/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3,(H2,16,17)
InChIKeyJSNNVKQKJYZZBI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.69
Rot. Bonds3

About N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide

N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide (PubChem CID 111823571) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
PubChem CID111823571
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
SMILESCC(O)(C/N=C(\N)N1CCCCC1)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-15(19,13-8-4-2-5-9-13)12-17-14(16)18-10-6-3-7-11-18/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3,(H2,16,17)
InChIKeyJSNNVKQKJYZZBI-UHFFFAOYSA-N
XLogP1.69
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)piperidine-1-carboximidamide
CID 111823981
N'-[2-(3-chlorophenyl)-2-hydroxypropyl]azetidine-1-carboximidamide
CID 122095345
N'-(2-methoxy-2-phenylpropyl)pyrrolidine-1-carboximidamide;hydrobromide
CID 155951721
N'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111821179
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111799996
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
N'-[2-(furan-2-yl)-2-hydroxypropyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465179
N'-(2-hydroxy-2-thiophen-3-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111823918
N'-(2-hydroxy-2-thiophen-3-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119148462
2-hydroxy-2,2-diphenyl-1-pyrrolidin-1-ylethanone
CID 6611667
N'-(2,2-dimethyl-3-phenylpropyl)thiomorpholine-4-carboximidamide
CID 111815528

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide (CID 111823571) is N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide is CC(O)(C/N=C(\N)N1CCCCC1)c1ccccc1.
What is the InChIKey of N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
The InChIKey is JSNNVKQKJYZZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(19,13-8-4-2-5-9-13)12-17-14(16)18-10-6-3-7-11-18/h2,4-5,8-9,19H,3,6-7,10-12H2,1H3,(H2,16,17).
What are the key properties of N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111823571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).