1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone

C10H20N2O2 — CID 129496090

IUPAC1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C10H20N2O2/c1-8(13)9-4-3-5-12(7-9)10(14)6-11-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyIOHLZNLBCVCDTM-RKDXNWHRSA-N
MW200.28 g/mol
LogP-0.17
Rot. Bonds3

About 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone

1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone (PubChem CID 129496090) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
PubChem CID129496090
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC[C@@H]([C@@H](C)O)C1
InChIInChI=1S/C10H20N2O2/c1-8(13)9-4-3-5-12(7-9)10(14)6-11-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyIOHLZNLBCVCDTM-RKDXNWHRSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496088
2-chloro-1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 129497014
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
3-amino-1-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129497497
3-[(3S)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]-3-oxopropanenitrile
CID 129494785
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-[3-(fluoromethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 121200961
1-(3-methoxypiperidin-1-yl)-2-(methylamino)ethanone
CID 103809291
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-(4-methylcyclohexyl)-2-oxoethanesulfonamide
CID 102553532

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone (CID 129496090) is 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC[C@@H]([C@@H](C)O)C1.
What is the InChIKey of 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is IOHLZNLBCVCDTM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(13)9-4-3-5-12(7-9)10(14)6-11-2/h8-9,11,13H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone?
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 200.28 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 129496090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).