2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate

C₁₆H₂₂ClNO₃ — CID 155075991

About 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate

2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate (PubChem CID 155075991) has the molecular formula C₁₆H₂₂ClNO₃ and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate.

Molecular Properties

• Compound Name: 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate
• PubChem CID: 155075991
• Molecular Formula: C₁₆H₂₂ClNO₃
• Molecular Weight: 311.81 g/mol
• Exact Mass: 311.13
• IUPAC Name: 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate
• SMILES: CC(C)(OC(=O)C(O)c1cccc(Cl)c1)C1CCNCC1
• InChI: InChI=1S/C16H22ClNO3/c1-16(2,12-6-8-18-9-7-12)21-15(20)14(19)11-4-3-5-13(17)10-11/h3-5,10,12,14,18-19H,6-9H2,1-2H3
• InChIKey: FXGNGMIOJIKMFL-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 58.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.81
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?

The IUPAC name of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate (CID 155075991) is 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate.

What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?

The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate is CC(C)(OC(=O)C(O)c1cccc(Cl)c1)C1CCNCC1.

What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?

The InChIKey is FXGNGMIOJIKMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-16(2,12-6-8-18-9-7-12)21-15(20)14(19)11-4-3-5-13(17)10-11/h3-5,10,12,14,18-19H,6-9H2,1-2H3.

What are the key properties of 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate?

2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate has a molecular weight of 311.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-piperidin-4-ylpropan-2-yl 2-(3-chlorophenyl)-2-hydroxyacetate is sourced from PubChem (CID 155075991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155075991 — identifiers, structure, computed properties (public domain)

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