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

C11H23N3O — CID 60914694

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCCC1CCO
InChIInChI=1S/C11H23N3O/c1-9(8-11(12)13)14-6-3-2-4-10(14)5-7-15/h9-10,15H,2-8H2,1H3,(H3,12,13)
InChIKeyPECLHMMCUCQWPV-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.94
Rot. Bonds5

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

3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide (PubChem CID 60914694) 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]butanimidamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
PubChem CID60914694
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCCCC1CCO
InChIInChI=1S/C11H23N3O/c1-9(8-11(12)13)14-6-3-2-4-10(14)5-7-15/h9-10,15H,2-8H2,1H3,(H3,12,13)
InChIKeyPECLHMMCUCQWPV-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide (CID 60914694) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide is [H]/N=C(\N)CC(C)N1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide?
The InChIKey is PECLHMMCUCQWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(8-11(12)13)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]butanimidamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.94, 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]butanimidamide is sourced from PubChem (CID 60914694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).