(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone

C13H24N2O — CID 104914142

IUPAC(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CCC(C)N(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C13H24N2O/c1-10-6-7-11(2)15(9-10)13(16)12-5-3-4-8-14-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyWBINSKAGRWLLIG-MCIGGMRASA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds1

About (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone

(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone (PubChem CID 104914142) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
PubChem CID104914142
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
SMILESCC1CCC(C)N(C(=O)[C@@H]2CCCCN2)C1
InChIInChI=1S/C13H24N2O/c1-10-6-7-11(2)15(9-10)13(16)12-5-3-4-8-14-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1
InChIKeyWBINSKAGRWLLIG-MCIGGMRASA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82917114
(2,5-dimethylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114429194
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[(2R)-piperidin-2-yl]methanone
CID 113267598
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
(2,5-dimethylpiperidin-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908906
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The IUPAC name of (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone (CID 104914142) is (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone.
What is the SMILES notation for (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The canonical SMILES for (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone is CC1CCC(C)N(C(=O)[C@@H]2CCCCN2)C1.
What is the InChIKey of (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
The InChIKey is WBINSKAGRWLLIG-MCIGGMRASA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-6-7-11(2)15(9-10)13(16)12-5-3-4-8-14-12/h10-12,14H,3-9H2,1-2H3/t10?,11?,12-/m0/s1.
What are the key properties of (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone?
(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone is sourced from PubChem (CID 104914142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).