N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide

C13H27N3O — CID 142907696

IUPACN'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide
SMILESCCCC(C)N1CCC(CC/C(N)=N/O)CC1
InChIInChI=1S/C13H27N3O/c1-3-4-11(2)16-9-7-12(8-10-16)5-6-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyOBRKIWTWKWKXQW-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.41
Rot. Bonds6

About N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide

N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide (PubChem CID 142907696) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide
PubChem CID142907696
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide
SMILESCCCC(C)N1CCC(CC/C(N)=N/O)CC1
InChIInChI=1S/C13H27N3O/c1-3-4-11(2)16-9-7-12(8-10-16)5-6-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyOBRKIWTWKWKXQW-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.41
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'}

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Related Compounds

N-hydroxy-1-methylpiperidine-4-carboximidamide
CID 57751896
N'-hydroxy-1-methylpiperidine-3-carboximidamide
CID 59556465
N'-hydroxy-4-(4-methylpiperidin-1-yl)butanimidamide
CID 24697862
N'-hydroxy-8-methyl-8-azabicyclo(3.2.1)octane-3-carboximidamide
CID 126970872
4-fluoro-N'-hydroxy-4-methyl-1-propylpiperidine-3-carboximidamide
CID 155397803
N'-hydroxy-3-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65538245
N'-hydroxy-2-[3-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65538437
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65538439
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
N'-hydroxy-3-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073350
N'-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]propanimidamide
CID 77073353
N'-hydroxy-2-[4-(trifluoromethyl)piperidin-1-yl]butanimidamide
CID 77073354

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide (CID 142907696) is N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide is CCCC(C)N1CCC(CC/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide?
The InChIKey is OBRKIWTWKWKXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-4-11(2)16-9-7-12(8-10-16)5-6-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide?
N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide is sourced from PubChem (CID 142907696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).