N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide

C15H23N3O — CID 111799996

IUPACN'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(CO)c1ccccc1)N1CCCCC1
InChIInChI=1S/C15H23N3O/c16-15(18-9-5-2-6-10-18)17-11-14(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2,(H2,16,17)
InChIKeyBNVLYLKZIWLCLM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.56
Rot. Bonds4

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

N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide (PubChem CID 111799996) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
PubChem CID111799996
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
SMILESN/C(=N\CC(CO)c1ccccc1)N1CCCCC1
InChIInChI=1S/C15H23N3O/c16-15(18-9-5-2-6-10-18)17-11-14(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2,(H2,16,17)
InChIKeyBNVLYLKZIWLCLM-UHFFFAOYSA-N
XLogP1.56
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.56
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'-(2,2-diphenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111031155
N'-(2-methoxy-2-phenylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111043639
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 111799879
N'-(2-decoxy-2-phenylethyl)piperidine-1-carboximidamide
CID 90949805
N'-(2-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide
CID 111823571
N'-[2-(3-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111819205
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide
CID 111058030
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-(2-hydroxy-3-phenylmethoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111058029
N'-(3-phenylsulfanylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111027125

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide (CID 111799996) is N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide is N/C(=N\CC(CO)c1ccccc1)N1CCCCC1.
What is the InChIKey of N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
The InChIKey is BNVLYLKZIWLCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(18-9-5-2-6-10-18)17-11-14(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14,19H,2,5-6,9-12H2,(H2,16,17).
What are the key properties of N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide?
N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-2-phenylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111799996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).