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

C13H24N2O — CID 104914141

IUPAC(2,5-dimethylpiperidin-1-yl)-[(2R)-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-/m1/s1
InChIKeyWBINSKAGRWLLIG-HTAVTVPLSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds1

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

(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone (PubChem CID 104914141) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
PubChem CID104914141
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2,5-dimethylpiperidin-1-yl)-[(2R)-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-/m1/s1
InChIKeyWBINSKAGRWLLIG-HTAVTVPLSA-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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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone (CID 104914141) is (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone is CC1CCC(C)N(C(=O)[C@H]2CCCCN2)C1.
What is the InChIKey of (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
The InChIKey is WBINSKAGRWLLIG-HTAVTVPLSA-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-/m1/s1.
What are the key properties of (2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
(2,5-dimethylpiperidin-1-yl)-[(2R)-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)-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 104914141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).