1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone

C11H22N2O2 — CID 66565448

IUPAC1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN(C)CCO)C1
InChIInChI=1S/C11H22N2O2/c1-10(15)13-5-3-4-11(9-13)8-12(2)6-7-14/h11,14H,3-9H2,1-2H3
InChIKeyUPHGGGVDZBFAJD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.17
Rot. Bonds4

About 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone

1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone (PubChem CID 66565448) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone
PubChem CID66565448
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(CN(C)CCO)C1
InChIInChI=1S/C11H22N2O2/c1-10(15)13-5-3-4-11(9-13)8-12(2)6-7-14/h11,14H,3-9H2,1-2H3
InChIKeyUPHGGGVDZBFAJD-UHFFFAOYSA-N
XLogP0.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553174
1-[(3R)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidin-1-yl]ethanone
CID 96553206
1-[3-[[4-hydroxybutyl(methyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 109397413
1-[(3S)-3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 96553193
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
1-[3-[[[4-(hydroxymethyl)phenyl]methyl-methylamino]methyl]pyrrolidin-1-yl]ethanone
CID 110009631
1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 91567205
2-chloro-1-[3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 66567923
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
2-[[(3R)-1-acetylpiperidin-3-yl]methoxy]acetic acid
CID 96885372
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
1-acetyl-N-cyclobutyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 102866122

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone (CID 66565448) is 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(CN(C)CCO)C1.
What is the InChIKey of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone?
The InChIKey is UPHGGGVDZBFAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(15)13-5-3-4-11(9-13)8-12(2)6-7-14/h11,14H,3-9H2,1-2H3.
What are the key properties of 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone?
1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-hydroxyethyl(methyl)amino]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 66565448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).