3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide

C11H23N3O — CID 107229049

IUPAC3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCCC(CCO)C1
InChIInChI=1S/C11H23N3O/c1-9(2)13-11(12)14-6-3-4-10(8-14)5-7-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyMYJIVMXMMOBZKT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.80
Rot. Bonds3

About 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide

3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide (PubChem CID 107229049) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
PubChem CID107229049
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
SMILESCC(C)/N=C(\N)N1CCCC(CCO)C1
InChIInChI=1S/C11H23N3O/c1-9(2)13-11(12)14-6-3-4-10(8-14)5-7-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyMYJIVMXMMOBZKT-UHFFFAOYSA-N
XLogP0.80
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.80
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 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-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

Related Compounds

propan-2-yl 3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 62356607
3-(2-hydroxyethyl)-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 107227325
4-[3-(2-hydroxyethyl)piperidin-1-yl]-2,3-dimethyl-4-oxobutanoic acid
CID 107214215
6-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 107217037
4-(hydroxymethyl)-N'-propan-2-ylpiperidine-1-carboximidamide
CID 62367974
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
(2S)-2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 103950968
2-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 103950960
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3,5,5-trimethylhexan-1-one
CID 62372863
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
(4-aminocyclohexyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107216903

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide (CID 107229049) is 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide is CC(C)/N=C(\N)N1CCCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
The InChIKey is MYJIVMXMMOBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)13-11(12)14-6-3-4-10(8-14)5-7-15/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide?
3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide has a molecular weight of 213.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N'-propan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 107229049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).