1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone

C12H24N2O3 — CID 82695486

IUPAC1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-2-5-13-10-12(16)14-6-3-11(4-7-14)17-9-8-15/h11,13,15H,2-10H2,1H3
InChIKeyVMUVRHXCTKKKLC-UHFFFAOYSA-N
MW244.33 g/mol
LogP-0.01
Rot. Bonds7

About 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone

1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone (PubChem CID 82695486) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
PubChem CID82695486
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C12H24N2O3/c1-2-5-13-10-12(16)14-6-3-11(4-7-14)17-9-8-15/h11,13,15H,2-10H2,1H3
InChIKeyVMUVRHXCTKKKLC-UHFFFAOYSA-N
XLogP-0.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone?
The IUPAC name of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone (CID 82695486) is 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone?
The canonical SMILES for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone is CCCNCC(=O)N1CCC(OCCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone?
The InChIKey is VMUVRHXCTKKKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-5-13-10-12(16)14-6-3-11(4-7-14)17-9-8-15/h11,13,15H,2-10H2,1H3.
What are the key properties of 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone?
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone has a molecular weight of 244.33 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-(propylamino)ethanone is sourced from PubChem (CID 82695486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).