(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

C12H22N2O — CID 62331219

IUPAC(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2)C(C)C1
InChIInChI=1S/C12H22N2O/c1-9-5-7-14(10(2)8-9)12(15)11-4-3-6-13-11/h9-11,13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyFZQYJVCJXYTGJI-ILDUYXDCSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone

(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 62331219) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID62331219
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC1CCN(C(=O)[C@@H]2CCCN2)C(C)C1
InChIInChI=1S/C12H22N2O/c1-9-5-7-14(10(2)8-9)12(15)11-4-3-6-13-11/h9-11,13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyFZQYJVCJXYTGJI-ILDUYXDCSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dimethylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63103466
4-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104921848
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 62332502
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 103814614
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(2,4-dimethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81139161
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone (CID 62331219) is (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is CC1CCN(C(=O)[C@@H]2CCCN2)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is FZQYJVCJXYTGJI-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-5-7-14(10(2)8-9)12(15)11-4-3-6-13-11/h9-11,13H,3-8H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone?
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 62331219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).