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

C₁₂H₂₂N₂O₂ — CID 129380988

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

[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 129380988) has the molecular formula C₁₂H₂₂N₂O₂ and a molecular weight of 226.32 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

• Compound Name: [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
• PubChem CID: 129380988
• Molecular Formula: C₁₂H₂₂N₂O₂
• Molecular Weight: 226.32 g/mol
• Exact Mass: 226.17
• IUPAC Name: [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
• SMILES: C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1O
• InChI: 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-/m1/s1
• InChIKey: MVXOZMYFRWUVNV-GMTAPVOTSA-N
• XLogP: 0.36
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.32
LogP ≤ 5	0.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The IUPAC name of [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 129380988) is [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone.

What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The canonical SMILES for [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone is C[C@@H]1CN(C(=O)[C@H]2CCCCN2)CC[C@H]1O.

What is the InChIKey of [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

The InChIKey is MVXOZMYFRWUVNV-GMTAPVOTSA-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-/m1/s1.

What are the key properties of [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone?

[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-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 [(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 129380988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129380988 — identifiers, structure, computed properties (public domain)

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