N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide

C13H27N3O — CID 76937110

IUPACN'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide
SMILESCCCC1CCN(C(CC)CC(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-3-5-11-6-8-16(9-7-11)12(4-2)10-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyIYNJANGUHMYQDS-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.41
Rot. Bonds6

About N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide

N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide (PubChem CID 76937110) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide
PubChem CID76937110
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide
SMILESCCCC1CCN(C(CC)CC(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-3-5-11-6-8-16(9-7-11)12(4-2)10-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyIYNJANGUHMYQDS-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-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
N'-hydroxy-3-(4-propylpiperidin-1-yl)propanimidamide
CID 76937108
N'-hydroxy-3-(1-pentan-2-ylpiperidin-4-yl)propanimidamide
CID 142907696
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 43266529
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77000767
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
N'-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 77048476
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypentanimidamide
CID 76987382
N'-hydroxy-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanimidamide
CID 55166764
4-amino-N-ethyl-3-(4-propylazepan-1-yl)butanamide
CID 66427386

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide (CID 76937110) is N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide is CCCC1CCN(C(CC)CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide?
The InChIKey is IYNJANGUHMYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-5-11-6-8-16(9-7-11)12(4-2)10-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide?
N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide 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-(4-propylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 76937110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).