(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine

C₉H₁₉NO₂ — CID 142353927

About (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine

(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine (PubChem CID 142353927) has the molecular formula C₉H₁₉NO₂ and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine.

Molecular Properties

• Compound Name: (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
• PubChem CID: 142353927
• Molecular Formula: C₉H₁₉NO₂
• Molecular Weight: 173.26 g/mol
• Exact Mass: 173.14
• IUPAC Name: (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine
• SMILES: CC(C)O[C@H]1C[C@@H](C)CN(O)C1
• InChI: InChI=1S/C9H19NO2/c1-7(2)12-9-4-8(3)5-10(11)6-9/h7-9,11H,4-6H2,1-3H3/t8-,9+/m1/s1
• InChIKey: AWYJCLNORQDIIS-BDAKNGLRSA-N
• XLogP: 1.51
• TPSA: 32.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	173.26
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?

The IUPAC name of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine (CID 142353927) is (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine.

What is the SMILES notation for (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?

The canonical SMILES for (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine is CC(C)O[C@H]1C[C@@H](C)CN(O)C1.

What is the InChIKey of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?

The InChIKey is AWYJCLNORQDIIS-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)12-9-4-8(3)5-10(11)6-9/h7-9,11H,4-6H2,1-3H3/t8-,9+/m1/s1.

What are the key properties of (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine?

(3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine has a molecular weight of 173.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-1-hydroxy-3-methyl-5-propan-2-yloxypiperidine is sourced from PubChem (CID 142353927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142353927 — identifiers, structure, computed properties (public domain)

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