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

C59H130N12O3 — CID 158835019

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);(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);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine (PubChem CID 158835019) has the molecular formula C59H130N12O3 and a molecular weight of 1055.77 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);(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);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine
• PubChem CID: 158835019
• Molecular Formula: C59H130N12O3
• Molecular Weight: 1055.77 g/mol
• Exact Mass: 1055.04
• 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);(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
• InChI: InChI=1S/2C10H22N2O.3C10H22N2.C9H20N2O/c2*1-7-5-12(10(2,3)4)6-8(11)9(7)13;3*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;3*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;3*8-,9+;7-,8-/m101100/s1
• InChIKey: IXNGOVDQQRMJFF-XIVITPMCSA-N
• XLogP: 5.39
• TPSA: 236.25 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1055.77
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

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);(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);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine (CID 158835019) 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);(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);(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);(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.

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);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine?

The InChIKey is IXNGOVDQQRMJFF-XIVITPMCSA-N. The full InChI is InChI=1S/2C10H22N2O.3C10H22N2.C9H20N2O/c2*1-7-5-12(10(2,3)4)6-8(11)9(7)13;3*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;3*8-9H,5-7,11H2,1-4H3;7-8,12H,4-6,10H2,1-3H3/t2*7-,8+,9+;3*8-,9+;7-,8-/m101100/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);(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);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine has a molecular weight of 1055.77 g/mol, XLogP of 5.39, 0 rotatable bonds, 9 hydrogen bond donors, and 15 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);(3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 158835019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).