1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone

C12H24N2O2 — CID 107937213

IUPAC1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC(NCC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-9-16-10-12(15)14-7-5-11(6-8-14)13-4-2/h11,13H,3-10H2,1-2H3
InChIKeyVTTCYTDICHBHPB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone

1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone (PubChem CID 107937213) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone.

Molecular Properties

Compound Name1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
PubChem CID107937213
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone
SMILESCCCOCC(=O)N1CCC(NCC)CC1
InChIInChI=1S/C12H24N2O2/c1-3-9-16-10-12(15)14-7-5-11(6-8-14)13-4-2/h11,13H,3-10H2,1-2H3
InChIKeyVTTCYTDICHBHPB-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 60818400
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
2-[1-(2-propoxyacetyl)piperidin-4-yl]acetic acid
CID 103790225
1-(3-ethylpyrrolidin-1-yl)-2-propoxyethanone
CID 103747275
2-cyclobutyl-1-[4-(ethylamino)piperidin-1-yl]ethanone
CID 103161305
1-(2-propoxyacetyl)piperidine-3,4-dicarboxylic acid
CID 107938324
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(2-propoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 113227408
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-propoxyethanone;hydrochloride
CID 119484604
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
1-(2-butoxyacetyl)piperidine-4-carbohydrazide
CID 63570869
N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555122

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone?
The IUPAC name of 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone (CID 107937213) is 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone.
What is the SMILES notation for 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone?
The canonical SMILES for 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone is CCCOCC(=O)N1CCC(NCC)CC1.
What is the InChIKey of 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone?
The InChIKey is VTTCYTDICHBHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-16-10-12(15)14-7-5-11(6-8-14)13-4-2/h11,13H,3-10H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone?
1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)piperidin-1-yl]-2-propoxyethanone is sourced from PubChem (CID 107937213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).