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

C57H125N13O5 — CID 158204782

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

(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate (PubChem CID 158204782) has the molecular formula C57H125N13O5 and a molecular weight of 1072.71 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate.

Molecular Properties

• Compound Name: (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate
• PubChem CID: 158204782
• Molecular Formula: C57H125N13O5
• Molecular Weight: 1072.71 g/mol
• Exact Mass: 1071.99
• IUPAC Name: (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate
• SMILES: CC(C)(C)N1CCC[C@@H](N)C1.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.COC(=O)NC1C(C)CN(C(C)(C)C)CC1N
• InChI: InChI=1S/C12H25N3O2.3C9H20N2O.2C9H20N2/c1-8-6-15(12(2,3)4)7-9(13)10(8)14-11(16)17-5;3*1-9(2,3)11-5-4-8(12)7(10)6-11;2*1-9(2,3)11-6-4-5-8(10)7-11/h8-10H,6-7,13H2,1-5H3,(H,14,16);3*7-8,12H,4-6,10H2,1-3H3;2*8H,4-7,10H2,1-3H3/t;2*7-,8+;7-,8-;2*8-/m.10110/s1
• InChIKey: GBJBQICPMCJOSL-PNAQPYONSA-N
• XLogP: 3.74
• TPSA: 274.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 17
• Rotatable Bonds: 1
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.71
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate (CID 158204782) is (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate.

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

The canonical SMILES for (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate is CC(C)(C)N1CCC[C@@H](N)C1.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.COC(=O)NC1C(C)CN(C(C)(C)C)CC1N.

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

The InChIKey is GBJBQICPMCJOSL-PNAQPYONSA-N. The full InChI is InChI=1S/C12H25N3O2.3C9H20N2O.2C9H20N2/c1-8-6-15(12(2,3)4)7-9(13)10(8)14-11(16)17-5;3*1-9(2,3)11-5-4-8(12)7(10)6-11;2*1-9(2,3)11-6-4-5-8(10)7-11/h8-10H,6-7,13H2,1-5H3,(H,14,16);3*7-8,12H,4-6,10H2,1-3H3;2*8H,4-7,10H2,1-3H3/t;2*7-,8+;7-,8-;2*8-/m.10110/s1.

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

(3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate has a molecular weight of 1072.71 g/mol, XLogP of 3.74, 1 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4R)-3-amino-1-tert-butylpiperidin-4-ol;(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol;(3S)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;methyl N-(3-amino-1-tert-butyl-5-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 158204782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).