(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine

C55H122N12O5 — CID 161127068

About (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine

(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine (PubChem CID 161127068) has the molecular formula C55H122N12O5 and a molecular weight of 1031.66 g/mol. Its IUPAC name is (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine.

Molecular Properties

• Compound Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine
• PubChem CID: 161127068
• Molecular Formula: C55H122N12O5
• Molecular Weight: 1031.66 g/mol
• Exact Mass: 1030.97
• IUPAC Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine
• SMILES: CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@H](N)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O
• InChI: InChI=1S/C10H22N2O.4C9H20N2O.C9H20N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;4*1-9(2,3)11-5-4-8(12)7(10)6-11;1-9(2,3)11-6-4-5-8(10)7-11/h7-9,13H,5-6,11H2,1-4H3;4*7-8,12H,4-6,10H2,1-3H3;8H,4-7,10H2,1-3H3/t7-,8+,9+;2*7-,8+;2*7-,8-;8-/m010101/s1
• InChIKey: ULRWTVYTZJMWBB-YPNXDXEUSA-N
• XLogP: 2.35
• TPSA: 276.71 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 17
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.66
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine?

The IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine (CID 161127068) is (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine.

What is the SMILES notation for (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine?

The canonical SMILES for (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine is CC(C)(C)N1CCC[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@@H](O)[C@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@@H](N)C1.CC(C)(C)N1CC[C@H](O)[C@H](N)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.

What is the InChIKey of (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine?

The InChIKey is ULRWTVYTZJMWBB-YPNXDXEUSA-N. The full InChI is InChI=1S/C10H22N2O.4C9H20N2O.C9H20N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;4*1-9(2,3)11-5-4-8(12)7(10)6-11;1-9(2,3)11-6-4-5-8(10)7-11/h7-9,13H,5-6,11H2,1-4H3;4*7-8,12H,4-6,10H2,1-3H3;8H,4-7,10H2,1-3H3/t7-,8+,9+;2*7-,8+;2*7-,8-;8-/m010101/s1.

What are the key properties of (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine?

(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine has a molecular weight of 1031.66 g/mol, XLogP of 2.35, 0 rotatable bonds, 11 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3R)-1-tert-butylpiperidin-3-amine is sourced from PubChem (CID 161127068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).