1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone

C13H26N2O2 — CID 61325359

IUPAC1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)10-14-11-5-7-15(8-6-11)12(16)9-17-4/h11,14H,5-10H2,1-4H3
InChIKeyGXUGCVFYOOLILL-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.26
Rot. Bonds4

About 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone

1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone (PubChem CID 61325359) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
PubChem CID61325359
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(NCC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)10-14-11-5-7-15(8-6-11)12(16)9-17-4/h11,14H,5-10H2,1-4H3
InChIKeyGXUGCVFYOOLILL-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
CID 81412783
2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
CID 106675338
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 58139999
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
2-methoxy-1-[4-[(1-methylpiperidin-2-yl)methylamino]piperidin-1-yl]ethanone
CID 62659613
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
1-[4-(1-aminopropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 103388974
1-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747533

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone (CID 61325359) is 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(NCC(C)(C)C)CC1.
What is the InChIKey of 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone?
The InChIKey is GXUGCVFYOOLILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)10-14-11-5-7-15(8-6-11)12(16)9-17-4/h11,14H,5-10H2,1-4H3.
What are the key properties of 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone?
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone has a molecular weight of 242.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 61325359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).