(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone

C13H24N2O2 — CID 121202941

IUPAC(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
SMILESCCC1CN(C(=O)C2CCCCN2)CCC1O
InChIInChI=1S/C13H24N2O2/c1-2-10-9-15(8-6-12(10)16)13(17)11-5-3-4-7-14-11/h10-12,14,16H,2-9H2,1H3
InChIKeyRKTYEFUBGVNWNN-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.75
Rot. Bonds2

About (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone

(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone (PubChem CID 121202941) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
PubChem CID121202941
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone
SMILESCCC1CN(C(=O)C2CCCCN2)CCC1O
InChIInChI=1S/C13H24N2O2/c1-2-10-9-15(8-6-12(10)16)13(17)11-5-3-4-7-14-11/h10-12,14,16H,2-9H2,1H3
InChIKeyRKTYEFUBGVNWNN-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.75
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
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
1-(azepane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 64568956
(2-ethylthiomorpholin-4-yl)-piperidin-2-ylmethanone
CID 115734522
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129393876
[3-(dimethylamino)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913920
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-2-ylmethanone
CID 119341172
[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 129494430
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(3-hydroxyazetidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 107217589
(3-hydroxyazetidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 107217621
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone?
The IUPAC name of (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone (CID 121202941) is (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone.
What is the SMILES notation for (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone?
The canonical SMILES for (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone is CCC1CN(C(=O)C2CCCCN2)CCC1O.
What is the InChIKey of (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone?
The InChIKey is RKTYEFUBGVNWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-10-9-15(8-6-12(10)16)13(17)11-5-3-4-7-14-11/h10-12,14,16H,2-9H2,1H3.
What are the key properties of (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone?
(3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-hydroxypiperidin-1-yl)-piperidin-2-ylmethanone is sourced from PubChem (CID 121202941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).