(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

C15H30N2O2 — CID 42557262

IUPAC(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCC(C)(C)CN1CCC[C@](O)(CNC(C)(C)C)C1=O
InChIInChI=1S/C15H30N2O2/c1-13(2,3)11-17-9-7-8-15(19,12(17)18)10-16-14(4,5)6/h16,19H,7-11H2,1-6H3/t15-/m0/s1
InChIKeyIYAKXKHUIMZKFW-HNNXBMFYSA-N
MW270.42 g/mol
LogP1.77
Rot. Bonds3

About (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one

(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (PubChem CID 42557262) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
PubChem CID42557262
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one
SMILESCC(C)(C)CN1CCC[C@](O)(CNC(C)(C)C)C1=O
InChIInChI=1S/C15H30N2O2/c1-13(2,3)11-17-9-7-8-15(19,12(17)18)10-16-14(4,5)6/h16,19H,7-11H2,1-6H3/t15-/m0/s1
InChIKeyIYAKXKHUIMZKFW-HNNXBMFYSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The IUPAC name of (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one (CID 42557262) is (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one.
What is the SMILES notation for (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The canonical SMILES for (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is CC(C)(C)CN1CCC[C@](O)(CNC(C)(C)C)C1=O.
What is the InChIKey of (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
The InChIKey is IYAKXKHUIMZKFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(2,3)11-17-9-7-8-15(19,12(17)18)10-16-14(4,5)6/h16,19H,7-11H2,1-6H3/t15-/m0/s1.
What are the key properties of (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one?
(3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(tert-butylamino)methyl]-1-(2,2-dimethylpropyl)-3-hydroxypiperidin-2-one is sourced from PubChem (CID 42557262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).