N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide

C11H23N3O — CID 111076526

IUPACN'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
SMILESCC(CO)C/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C11H23N3O/c1-9-4-3-5-14(7-9)11(12)13-6-10(2)8-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyQKUAVYZCNCJELU-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.66
Rot. Bonds3

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

N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide (PubChem CID 111076526) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
PubChem CID111076526
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide
SMILESCC(CO)C/N=C(\N)N1CCCC(C)C1
InChIInChI=1S/C11H23N3O/c1-9-4-3-5-14(7-9)11(12)13-6-10(2)8-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyQKUAVYZCNCJELU-UHFFFAOYSA-N
XLogP0.66
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.66
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

3-methyl-N'-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide
CID 111042541
3-methyl-N'-(3-methyl-2-morpholin-4-ylbutyl)piperidine-1-carboximidamide
CID 111041135
3-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide
CID 111076809
3-methyl-N'-[(1-propan-2-ylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111970356
(3R)-3-methyl-N'-(2-methylsulfanylethyl)piperidine-1-carboximidamide
CID 100673266
N'-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111088654
3-methyl-N'-(2-phenylethyl)piperidine-1-carboximidamide
CID 111022901
4-methyl-N'-[2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 110920030
(3R)-N'-hydroxy-3-methylpiperidine-1-carboximidamide
CID 166099569
N'-[2-(4-fluorophenoxy)propyl]-3-methylpiperidine-1-carboximidamide
CID 111820282
3-methyl-N'-(2-phenylbutyl)piperidine-1-carboximidamide
CID 111032436
N'-[2-(3,5-dimethylphenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111818646

Frequently Asked Questions

What is the IUPAC name of N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide (CID 111076526) is N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide is CC(CO)C/N=C(\N)N1CCCC(C)C1.
What is the InChIKey of N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide?
The InChIKey is QKUAVYZCNCJELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-4-3-5-14(7-9)11(12)13-6-10(2)8-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide?
N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-hydroxy-2-methylpropyl)-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111076526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).