2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide

C15H23N3O2 — CID 81303118

IUPAC2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCCC1CCO
InChIInChI=1S/C15H23N3O2/c1-20-12-5-6-13(15(16)17)14(10-12)18-8-3-2-4-11(18)7-9-19/h5-6,10-11,19H,2-4,7-9H2,1H3,(H3,16,17)
InChIKeyKHZLXEYTQBRRAR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds5

About 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide

2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide (PubChem CID 81303118) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
PubChem CID81303118
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1N1CCCCC1CCO
InChIInChI=1S/C15H23N3O2/c1-20-12-5-6-13(15(16)17)14(10-12)18-8-3-2-4-11(18)7-9-19/h5-6,10-11,19H,2-4,7-9H2,1H3,(H3,16,17)
InChIKeyKHZLXEYTQBRRAR-UHFFFAOYSA-N
XLogP1.72
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide (CID 81303118) is 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1N1CCCCC1CCO.
What is the InChIKey of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
The InChIKey is KHZLXEYTQBRRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-12-5-6-13(15(16)17)14(10-12)18-8-3-2-4-11(18)7-9-19/h5-6,10-11,19H,2-4,7-9H2,1H3,(H3,16,17).
What are the key properties of 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide?
2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).