2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide

C9H20N4O — CID 164654396

IUPAC2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCN(C)CC1CO
InChIInChI=1S/C9H20N4O/c1-7(9(10)11)13-4-3-12(2)5-8(13)6-14/h7-8,14H,3-6H2,1-2H3,(H3,10,11)
InChIKeyIMIHUQARWQNZEW-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.08
Rot. Bonds3

About 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide

2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide (PubChem CID 164654396) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide
PubChem CID164654396
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)C(C)N1CCN(C)CC1CO
InChIInChI=1S/C9H20N4O/c1-7(9(10)11)13-4-3-12(2)5-8(13)6-14/h7-8,14H,3-6H2,1-2H3,(H3,10,11)
InChIKeyIMIHUQARWQNZEW-UHFFFAOYSA-N
XLogP-1.08
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.08
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'}

Analyze 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanoic acid
CID 83819489
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanimidamide
CID 63276055
[4-methyl-1-(3-methylbutan-2-yl)piperazin-2-yl]methanamine
CID 80504523
[(2S)-4-amino-1-propan-2-ylpyrrolidin-2-yl]methanol
CID 130193013
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propanimidamide
CID 114777135
2-[4-(cyclopropylmethylsulfonyl)piperazin-1-yl]propanimidamide
CID 64989510
3-[2-(aminomethyl)-4-methylpiperazin-1-yl]butanenitrile
CID 80505892
[1-(1-amino-2-methylpropan-2-yl)-4-methylpiperazin-2-yl]methanol
CID 83819424
(1-but-3-en-2-yl-4-methylpiperazin-2-yl)methanamine
CID 80505747
[1-(2,6-dimethylheptan-4-yl)-4-methylpiperazin-2-yl]methanamine
CID 114868447
2-(fluoromethyl)-4-methyl-1-propan-2-ylpiperazine
CID 168838550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide (CID 164654396) is 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide is [H]/N=C(\N)C(C)N1CCN(C)CC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide?
The InChIKey is IMIHUQARWQNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-7(9(10)11)13-4-3-12(2)5-8(13)6-14/h7-8,14H,3-6H2,1-2H3,(H3,10,11).
What are the key properties of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide?
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide has a molecular weight of 200.29 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanimidamide is sourced from PubChem (CID 164654396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).