N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide

C11H23N3O — CID 77038741

IUPACN'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
SMILESCC(C)CCN1CCC(C(N)=NO)CC1
InChIInChI=1S/C11H23N3O/c1-9(2)3-6-14-7-4-10(5-8-14)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPBBCDQJRWBLLPG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.49
Rot. Bonds4

About N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide

N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide (PubChem CID 77038741) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
PubChem CID77038741
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide
SMILESCC(C)CCN1CCC(C(N)=NO)CC1
InChIInChI=1S/C11H23N3O/c1-9(2)3-6-14-7-4-10(5-8-14)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyPBBCDQJRWBLLPG-UHFFFAOYSA-N
XLogP1.49
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.49
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-1-pentylpiperidine-4-carboximidamide
CID 77038507
N'-hydroxy-1-(4-methylpentanoyl)piperidine-4-carboximidamide
CID 77039261
N,N-dimethyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 175620267
formaldehyde;4-methyl-1-(3-methylbutyl)piperidine
CID 143870022
N'-hydroxy-1-(2-propylsulfonylethyl)piperidine-4-carboximidamide
CID 106725369
N'-hydroxy-1-(2-methylpropyl)piperidine-3-carboximidamide
CID 77041248
methane;1-(3-methylbutyl)pyrrolidine
CID 143832561
N-tert-butyl-1-(3-methylbutyl)piperidine-4-carboxamide
CID 51362667
N-ethyl-1-(3-methylbutyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 157028642
1,1-diethyl-2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 111859870
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
[1-(3-methylbutyl)pyrrolidin-3-yl] carbamate
CID 174922381

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide (CID 77038741) is N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide is CC(C)CCN1CCC(C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide?
The InChIKey is PBBCDQJRWBLLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)3-6-14-7-4-10(5-8-14)11(12)13-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-methylbutyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77038741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).