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

C13H27N3O — CID 65259018

IUPAC5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCCC1CO
InChIInChI=1S/C13H27N3O/c1-13(2,12(14)15)7-5-9-16-8-4-3-6-11(16)10-17/h11,17H,3-10H2,1-2H3,(H3,14,15)
InChIKeyCRGUCPYXDJXJLV-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.58
Rot. Bonds6

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

5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (PubChem CID 65259018) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
PubChem CID65259018
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCCC1CO
InChIInChI=1S/C13H27N3O/c1-13(2,12(14)15)7-5-9-16-8-4-3-6-11(16)10-17/h11,17H,3-10H2,1-2H3,(H3,14,15)
InChIKeyCRGUCPYXDJXJLV-UHFFFAOYSA-N
XLogP1.58
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The IUPAC name of 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide (CID 65259018) is 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCCC1CO.
What is the InChIKey of 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
The InChIKey is CRGUCPYXDJXJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,12(14)15)7-5-9-16-8-4-3-6-11(16)10-17/h11,17H,3-10H2,1-2H3,(H3,14,15).
What are the key properties of 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide?
5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65259018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).