N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide

C12H21N3O3 — CID 112747224

IUPACN'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
SMILESCC1(C)CN(C(=O)C2(C(N)=NO)CC2)CCC1O
InChIInChI=1S/C12H21N3O3/c1-11(2)7-15(6-3-8(11)16)10(17)12(4-5-12)9(13)14-18/h8,16,18H,3-7H2,1-2H3,(H2,13,14)
InChIKeyAAIHXDIGLBHFMS-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.13
Rot. Bonds2

About N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide

N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide (PubChem CID 112747224) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
PubChem CID112747224
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide
SMILESCC1(C)CN(C(=O)C2(C(N)=NO)CC2)CCC1O
InChIInChI=1S/C12H21N3O3/c1-11(2)7-15(6-3-8(11)16)10(17)12(4-5-12)9(13)14-18/h8,16,18H,3-7H2,1-2H3,(H2,13,14)
InChIKeyAAIHXDIGLBHFMS-UHFFFAOYSA-N
XLogP0.13
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide?
The IUPAC name of N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide (CID 112747224) is N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide is CC1(C)CN(C(=O)C2(C(N)=NO)CC2)CCC1O.
What is the InChIKey of N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide?
The InChIKey is AAIHXDIGLBHFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-11(2)7-15(6-3-8(11)16)10(17)12(4-5-12)9(13)14-18/h8,16,18H,3-7H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide?
N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(4-hydroxy-3,3-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 112747224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).