1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone

C14H28N2O2 — CID 97051854

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C14H28N2O2/c1-11-7-6-8-12(2)16(11)13(17)9-15(5)10-14(3,4)18/h11-12,18H,6-10H2,1-5H3/t11-,12+
InChIKeyFSPUGWSBXBHRPT-TXEJJXNPSA-N
MW256.39 g/mol
LogP1.48
Rot. Bonds4

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone (PubChem CID 97051854) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
PubChem CID97051854
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CC(C)(C)O
InChIInChI=1S/C14H28N2O2/c1-11-7-6-8-12(2)16(11)13(17)9-15(5)10-14(3,4)18/h11-12,18H,6-10H2,1-5H3/t11-,12+
InChIKeyFSPUGWSBXBHRPT-TXEJJXNPSA-N
XLogP1.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 53603475
1-(2,6-Dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 56828369
2-((2-Hydroxyethyl)(methyl)amino)-1-(2-methylpiperidin-1-yl)ethan-1-one
CID 60683912
2-[4-[2-[Heptyl(propan-2-yl)amino]acetyl]piperazin-1-yl]acetic acid
CID 20737986
1-(2-Hydroxy-2-methylpropyl)-3,3,4,5,5-pentamethylpiperazin-2-one
CID 21055547
1-Hexan-2-yl-4-(hydroxymethyl)piperazin-2-one
CID 70877901
1-[(3R,5S)-4-decan-3-yl-3,5-dimethylpiperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 132228324
4-Acetyl-1-heptan-2-yl-3,3-dimethylpiperazin-2-one
CID 132228468
2-(2-Ethylpiperidin-1-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 175248166
N-(2-hydroxy-2-methylpropyl)-2-oxo-2-piperidin-1-ylacetamide
CID 176960450
2-[[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442304
2-[[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-methylamino]acetic acid
CID 43442331

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone (CID 97051854) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN(C)CC(C)(C)O.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
The InChIKey is FSPUGWSBXBHRPT-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11-7-6-8-12(2)16(11)13(17)9-15(5)10-14(3,4)18/h11-12,18H,6-10H2,1-5H3/t11-,12+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone is sourced from PubChem (CID 97051854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).