4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide

C10H21N3O — CID 114679007

IUPAC4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(O)C(C)C1
InChIInChI=1S/C10H21N3O/c1-3-5-12-10(11)13-6-4-9(14)8(2)7-13/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyBDLHPTHPVBTQRO-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.41
Rot. Bonds2

About 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide

4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide (PubChem CID 114679007) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide
PubChem CID114679007
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide
SMILESCCC/N=C(\N)N1CCC(O)C(C)C1
InChIInChI=1S/C10H21N3O/c1-3-5-12-10(11)13-6-4-9(14)8(2)7-13/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyBDLHPTHPVBTQRO-UHFFFAOYSA-N
XLogP0.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide?
The IUPAC name of 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide (CID 114679007) is 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide?
The canonical SMILES for 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide is CCC/N=C(\N)N1CCC(O)C(C)C1.
What is the InChIKey of 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide?
The InChIKey is BDLHPTHPVBTQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-5-12-10(11)13-6-4-9(14)8(2)7-13/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide?
4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide has a molecular weight of 199.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N'-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 114679007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).