N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide

C10H21N3O2 — CID 61406644

IUPACN'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCCCC1CO
InChIInChI=1S/C10H21N3O2/c1-8(6-10(11)12-15)13-5-3-2-4-9(13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyFPHYLIAWEFSJKC-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.36
Rot. Bonds4

About N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide

N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide (PubChem CID 61406644) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
PubChem CID61406644
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
SMILESCC(CC(N)=NO)N1CCCCC1CO
InChIInChI=1S/C10H21N3O2/c1-8(6-10(11)12-15)13-5-3-2-4-9(13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyFPHYLIAWEFSJKC-UHFFFAOYSA-N
XLogP0.36
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.36
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-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide (CID 61406644) is N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide is CC(CC(N)=NO)N1CCCCC1CO.
What is the InChIKey of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
The InChIKey is FPHYLIAWEFSJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(6-10(11)12-15)13-5-3-2-4-9(13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide?
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide is sourced from PubChem (CID 61406644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).