2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide

C10H21N3O — CID 76939967

IUPAC2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC1CCN(C(C)C(N)=NO)C(C)C1
InChIInChI=1S/C10H21N3O/c1-7-4-5-13(8(2)6-7)9(3)10(11)12-14/h7-9,14H,4-6H2,1-3H3,(H2,11,12)
InChIKeyQMXIMTDBHQVMOV-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.24
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide

2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide (PubChem CID 76939967) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
PubChem CID76939967
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide
SMILESCC1CCN(C(C)C(N)=NO)C(C)C1
InChIInChI=1S/C10H21N3O/c1-7-4-5-13(8(2)6-7)9(3)10(11)12-14/h7-9,14H,4-6H2,1-3H3,(H2,11,12)
InChIKeyQMXIMTDBHQVMOV-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide (CID 76939967) is 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide is CC1CCN(C(C)C(N)=NO)C(C)C1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
The InChIKey is QMXIMTDBHQVMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7-4-5-13(8(2)6-7)9(3)10(11)12-14/h7-9,14H,4-6H2,1-3H3,(H2,11,12).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide?
2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidin-1-yl)-N'-hydroxypropanimidamide is sourced from PubChem (CID 76939967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).