(3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol

C₁₀H₂₁NO — CID 1415666

About (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol

(3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol (PubChem CID 1415666) has the molecular formula C₁₀H₂₁NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol.

Molecular Properties

• Compound Name: (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol
• PubChem CID: 1415666
• Molecular Formula: C₁₀H₂₁NO
• Molecular Weight: 171.28 g/mol
• Exact Mass: 171.16
• IUPAC Name: (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol
• SMILES: C[C@H]1C[C@@H](O)CN(C(C)(C)C)C1
• InChI: InChI=1S/C10H21NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m0/s1
• InChIKey: BEATWLFZIJOJJN-DTWKUNHWSA-N
• XLogP: 1.49
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	171.28
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol?

The IUPAC name of (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol (CID 1415666) is (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol.

What is the SMILES notation for (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol?

The canonical SMILES for (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol is C[C@H]1C[C@@H](O)CN(C(C)(C)C)C1.

What is the InChIKey of (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol?

The InChIKey is BEATWLFZIJOJJN-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9+/m0/s1.

What are the key properties of (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol?

(3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-1-tert-butyl-5-methylpiperidin-3-ol is sourced from PubChem (CID 1415666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1415666 — identifiers, structure, computed properties (public domain)

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