(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone

C12H22N2O2 — CID 104940916

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CN(C(=O)[C@@H]2CCCCN2)CCC1O
InChIInChI=1S/C12H22N2O2/c1-9-8-14(7-5-11(9)15)12(16)10-4-2-3-6-13-10/h9-11,13,15H,2-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyMVXOZMYFRWUVNV-YVNMAJEFSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds1

About (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone

(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 104940916) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID104940916
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CN(C(=O)[C@@H]2CCCCN2)CCC1O
InChIInChI=1S/C12H22N2O2/c1-9-8-14(7-5-11(9)15)12(16)10-4-2-3-6-13-10/h9-11,13,15H,2-8H2,1H3/t9?,10-,11?/m0/s1
InChIKeyMVXOZMYFRWUVNV-YVNMAJEFSA-N
XLogP0.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
CID 121202941
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(3-methoxy-4-methylpiperidin-1-yl)-piperidin-2-ylmethanone
CID 102957446
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
(3,4-dimethylpiperazin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913945
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678313
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 114678386

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 104940916) is (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone is CC1CN(C(=O)[C@@H]2CCCCN2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is MVXOZMYFRWUVNV-YVNMAJEFSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-8-14(7-5-11(9)15)12(16)10-4-2-3-6-13-10/h9-11,13,15H,2-8H2,1H3/t9?,10-,11?/m0/s1.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 226.32 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 104940916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).