2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone

C14H28N2O2 — CID 61242500

IUPAC2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-5-18-11-14(17)16-8-6-13(7-9-16)10-15(4)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyVEAAPNOPQDKBNK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds6

About 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 61242500) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID61242500
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(CN(C)C(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-5-18-11-14(17)16-8-6-13(7-9-16)10-15(4)12(2)3/h12-13H,5-11H2,1-4H3
InChIKeyVEAAPNOPQDKBNK-UHFFFAOYSA-N
XLogP1.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropanoic acid
CID 62229912
1-[4-(chloromethyl)piperidin-1-yl]-2-ethoxyethanone
CID 63397851
4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
2,2-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 65302720
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60953267
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958133
ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
CID 176554247
3-amino-2-methoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]propan-1-one
CID 106112209
2-(2-aminoethoxy)-1-[4-(diethylaminomethyl)piperidin-1-yl]ethanone
CID 79473510

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone (CID 61242500) is 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(CN(C)C(C)C)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is VEAAPNOPQDKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-11-14(17)16-8-6-13(7-9-16)10-15(4)12(2)3/h12-13H,5-11H2,1-4H3.
What are the key properties of 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 61242500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).