1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone

C15H30N2O3 — CID 81412783

IUPAC1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
SMILESCCC(CC)(CO)CNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H30N2O3/c1-4-15(5-2,12-18)11-16-13-6-8-17(9-7-13)14(19)10-20-3/h13,16,18H,4-12H2,1-3H3
InChIKeyDNNSNWCWQPKSHR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.01
Rot. Bonds8

About 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone

1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone (PubChem CID 81412783) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
PubChem CID81412783
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone
SMILESCCC(CC)(CO)CNC1CCN(C(=O)COC)CC1
InChIInChI=1S/C15H30N2O3/c1-4-15(5-2,12-18)11-16-13-6-8-17(9-7-13)14(19)10-20-3/h13,16,18H,4-12H2,1-3H3
InChIKeyDNNSNWCWQPKSHR-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone with MolForge

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Related Compounds

1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359
2-methoxy-1-[4-(2-methylpentylamino)piperidin-1-yl]ethanone
CID 43747502
2-methoxy-1-[4-[(3-methoxy-3-methylbutyl)amino]piperidin-1-yl]ethanone
CID 106675338
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
2-ethyl-2-[[(1-methylazepan-4-yl)amino]methyl]butan-1-ol
CID 103904654
2-ethyl-2-[[(1-ethylazepan-4-yl)amino]methyl]butan-1-ol
CID 114164233
2-methoxy-1-[4-(3-methylpentan-2-ylamino)piperidin-1-yl]ethanone
CID 43747506
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
1-[4-[(5-ethylthiophen-2-yl)methylamino]piperidin-1-yl]-2-methoxyethanone
CID 62346804

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone (CID 81412783) is 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone is CCC(CC)(CO)CNC1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is DNNSNWCWQPKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-15(5-2,12-18)11-16-13-6-8-17(9-7-13)14(19)10-20-3/h13,16,18H,4-12H2,1-3H3.
What are the key properties of 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone?
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 286.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 81412783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).