N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide

C13H27N3O2 — CID 77063490

IUPACN'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCCCC1CO)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)15-18)7-5-9-16-8-4-3-6-11(16)10-17/h11,17-18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyGNBUKOKEVCRBLN-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.39
Rot. Bonds6

About N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 77063490) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID77063490
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILESCC(C)(CCCN1CCCCC1CO)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)15-18)7-5-9-16-8-4-3-6-11(16)10-17/h11,17-18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyGNBUKOKEVCRBLN-UHFFFAOYSA-N
XLogP1.39
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.39
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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Related Compounds

CID 61406593
CID 61406593
CID 61406595
CID 61406595
CID 61406642
CID 61406642
CID 61406643
CID 61406643
CID 61406644
CID 61406644
CID 61524532
CID 61524532
CID 65252485
CID 65252485
CID 65258955
CID 65258955
CID 65259018
CID 65259018
CID 76915170
CID 76915170
CID 76915826
CID 76915826
CID 77061857
CID 77061857

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (CID 77063490) is N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is CC(C)(CCCN1CCCCC1CO)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is GNBUKOKEVCRBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,12(14)15-18)7-5-9-16-8-4-3-6-11(16)10-17/h11,17-18H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).