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

C69H152N14O3 — CID 158274179

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

(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) (PubChem CID 158274179) has the molecular formula C69H152N14O3 and a molecular weight of 1226.07 g/mol. Its IUPAC name is (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine).

Molecular Properties

• Compound Name: (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
• PubChem CID: 158274179
• Molecular Formula: C69H152N14O3
• Molecular Weight: 1226.07 g/mol
• Exact Mass: 1225.22
• IUPAC Name: (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
• SMILES: 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.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.C[C@H]1C[C@@H](N)CN(C(C)(C)C)C1.C[C@H]1C[C@@H](N)CN(C(C)(C)C)C1
• InChI: InChI=1S/2C10H22N2O.4C10H22N2.C9H20N2O/c2*1-7-5-12(10(2,3)4)6-8(11)9(7)13;4*1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-5-4-8(12)7(10)6-11/h2*7-9,13H,5-6,11H2,1-4H3;4*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;4*8-,9+;7-,8-/m1011000/s1
• InChIKey: GJKDHAGWTZXLAV-AZWPZKOXSA-N
• XLogP: 6.84
• TPSA: 265.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1226.07
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) (CID 158274179) is (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine).

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

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

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

The InChIKey is GJKDHAGWTZXLAV-AZWPZKOXSA-N. The full InChI is InChI=1S/2C10H22N2O.4C10H22N2.C9H20N2O/c2*1-7-5-12(10(2,3)4)6-8(11)9(7)13;4*1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-5-4-8(12)7(10)6-11/h2*7-9,13H,5-6,11H2,1-4H3;4*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;4*8-,9+;7-,8-/m1011000/s1.

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

(3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) has a molecular weight of 1226.07 g/mol, XLogP of 6.84, 0 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3S,4S)-3-amino-1-tert-butylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) is sourced from PubChem (CID 158274179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).