1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone

C10H20N2O2 — CID 129371121

IUPAC1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC[C@H]1[C@H](C)O
InChIInChI=1S/C10H20N2O2/c1-8(13)9-5-3-4-6-12(9)10(14)7-11-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyUUFZOTSKGMMSIH-IUCAKERBSA-N
MW200.28 g/mol
LogP-0.03
Rot. Bonds3

About 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone

1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 129371121) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID129371121
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC[C@H]1[C@H](C)O
InChIInChI=1S/C10H20N2O2/c1-8(13)9-5-3-4-6-12(9)10(14)7-11-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyUUFZOTSKGMMSIH-IUCAKERBSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 130621072
4-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-4-oxobutanoic acid
CID 129371127
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
1-[2-(1-hydroxyethyl)piperidin-1-yl]octadecan-1-one
CID 174408643
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 122080228
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493927
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
3,4-difluoro-N-[2-[(2R)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99616471
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
2-[1-[2-(methylamino)acetyl]piperidin-2-yl]acetamide;hydrochloride
CID 119756579
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone (CID 129371121) is 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCC[C@H]1[C@H](C)O.
What is the InChIKey of 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is UUFZOTSKGMMSIH-IUCAKERBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)9-5-3-4-6-12(9)10(14)7-11-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 129371121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).