1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one

C15H30N2O2 — CID 176581495

IUPAC1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(CCOCCNC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-13(2)16-6-10-19-11-9-17-7-4-15(5-8-17)12-14(3)18/h13,15-16H,4-12H2,1-3H3
InChIKeyUYKWKSFHXYEQBQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.69
Rot. Bonds9

About 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one

1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one (PubChem CID 176581495) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
PubChem CID176581495
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one
SMILESCC(=O)CC1CCN(CCOCCNC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-13(2)16-6-10-19-11-9-17-7-4-15(5-8-17)12-14(3)18/h13,15-16H,4-12H2,1-3H3
InChIKeyUYKWKSFHXYEQBQ-UHFFFAOYSA-N
XLogP1.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 176577635
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethyl]propan-2-amine
CID 82891726
N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]propan-2-amine
CID 103410145
3-[3-[4-(2-methylpropyl)piperidin-1-yl]propoxy]-N-propan-2-ylpropan-1-amine;molecular hydrogen
CID 155740209
ethane;N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]acetamide
CID 142616304
4-[2-(propan-2-ylamino)ethoxy]butan-2-one
CID 147119973
2-methyl-N-[2-[2-[2-[2-[4-(propan-2-ylamino)piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138728006
5-(2-piperidin-1-ylethoxy)-N-propan-2-ylpentan-1-amine
CID 55076897
1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propan-2-one
CID 138727906
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338
N-[2-fluoro-3-[2-[4-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]ethoxy]propyl]-2-methylpropanamide
CID 155439428
N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 114476807

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one?
The IUPAC name of 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one (CID 176581495) is 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one.
What is the SMILES notation for 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one?
The canonical SMILES for 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(CCOCCNC(C)C)CC1.
What is the InChIKey of 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one?
The InChIKey is UYKWKSFHXYEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2)16-6-10-19-11-9-17-7-4-15(5-8-17)12-14(3)18/h13,15-16H,4-12H2,1-3H3.
What are the key properties of 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one?
1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 176581495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).