3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide

C11H23N3O — CID 43368014

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCCC1CCO
InChIInChI=1S/C11H23N3O/c1-9(11(12)13)8-14-6-3-2-4-10(14)5-7-15/h9-10,15H,2-8H2,1H3,(H3,12,13)
InChIKeyRTEBMCLNDKFSJO-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.80
Rot. Bonds5

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide

3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide (PubChem CID 43368014) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
PubChem CID43368014
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCCCC1CCO
InChIInChI=1S/C11H23N3O/c1-9(11(12)13)8-14-6-3-2-4-10(14)5-7-15/h9-10,15H,2-8H2,1H3,(H3,12,13)
InChIKeyRTEBMCLNDKFSJO-UHFFFAOYSA-N
XLogP0.80
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.80
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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Related Compounds

3-(2-ethylazepan-1-yl)-2-methylpropanimidamide
CID 104690087
2-methyl-3-(2-methylpiperidin-1-yl)propanimidamide
CID 43367810
2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 60914694
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
2-[1-(3-amino-2,2-dimethylbutyl)piperidin-2-yl]ethanol
CID 66454911
3-(3-hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
2-[1-(2-methylidenebutyl)piperidin-2-yl]ethanol
CID 66038303

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide (CID 43368014) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
The InChIKey is RTEBMCLNDKFSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(11(12)13)8-14-6-3-2-4-10(14)5-7-15/h9-10,15H,2-8H2,1H3,(H3,12,13).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide is sourced from PubChem (CID 43368014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).