4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide

C12H25N3O — CID 65252485

IUPAC4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCCCC1CO
InChIInChI=1S/C12H25N3O/c1-12(2,11(13)14)6-8-15-7-4-3-5-10(15)9-16/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyQZPNQRWRLNPNPK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.19
Rot. Bonds5

About 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide

4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide (PubChem CID 65252485) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
PubChem CID65252485
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN1CCCCC1CO
InChIInChI=1S/C12H25N3O/c1-12(2,11(13)14)6-8-15-7-4-3-5-10(15)9-16/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyQZPNQRWRLNPNPK-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.19
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 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
The IUPAC name of 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide (CID 65252485) is 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide.
What is the SMILES notation for 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
The canonical SMILES for 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide is [H]/N=C(\N)C(C)(C)CCN1CCCCC1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
The InChIKey is QZPNQRWRLNPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,11(13)14)6-8-15-7-4-3-5-10(15)9-16/h10,16H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide?
4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 65252485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).