1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone

C12H24N2O2 — CID 115574825

IUPAC1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCOC(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-6-13-12-4-7-14(8-5-12)11(3)15/h10,12-13H,4-9H2,1-3H3
InChIKeyZPWPKMSMJQKWKH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds5

About 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone

1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone (PubChem CID 115574825) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
PubChem CID115574825
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCOC(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-10(2)16-9-6-13-12-4-7-14(8-5-12)11(3)15/h10,12-13H,4-9H2,1-3H3
InChIKeyZPWPKMSMJQKWKH-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone (CID 115574825) is 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCOC(C)C)CC1.
What is the InChIKey of 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone?
The InChIKey is ZPWPKMSMJQKWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)16-9-6-13-12-4-7-14(8-5-12)11(3)15/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone?
1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone has a molecular weight of 228.34 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 115574825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).