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

C42H84F6N8O2 — CID 159180231

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

(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 159180231) has the molecular formula C42H84F6N8O2 and a molecular weight of 847.18 g/mol. Its IUPAC name is (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine.

Molecular Properties

• Compound Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
• PubChem CID: 159180231
• Molecular Formula: C42H84F6N8O2
• Molecular Weight: 847.18 g/mol
• Exact Mass: 846.66
• IUPAC Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
• SMILES: CC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C2CC2)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C(F)(F)F)C1.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O
• InChI: InChI=1S/C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O/c1-12(2,3)14-7-10(9-4-5-9)6-11(13)8-14;1-9(2,3)15-4-6(10(11,12)13)8(16)7(14)5-15;1-9(2,3)15-5-7(10(11,12)13)4-8(14)6-15;1-7-5-12(10(2,3)4)6-8(11)9(7)13/h9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;7-9,13H,5-6,11H2,1-4H3/t10-,11+;6-,7+,8+;7-,8+;7-,8+,9+/m1010/s1
• InChIKey: KMUGXQAIQLLOFB-KFLGWWGMSA-N
• XLogP: 5.23
• TPSA: 157.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 1
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	847.18
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (CID 159180231) is (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine.

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

The canonical SMILES for (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is CC(C)(C)N1C[C@@H](N)C[C@@H](C(F)(F)F)C1.CC(C)(C)N1C[C@@H](N)C[C@@H](C2CC2)C1.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C(F)(F)F)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;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine?

The InChIKey is KMUGXQAIQLLOFB-KFLGWWGMSA-N. The full InChI is InChI=1S/C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2O/c1-12(2,3)14-7-10(9-4-5-9)6-11(13)8-14;1-9(2,3)15-4-6(10(11,12)13)8(16)7(14)5-15;1-9(2,3)15-5-7(10(11,12)13)4-8(14)6-15;1-7-5-12(10(2,3)4)6-8(11)9(7)13/h9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;7-9,13H,5-6,11H2,1-4H3/t10-,11+;6-,7+,8+;7-,8+;7-,8+,9+/m1010/s1.

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

(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 847.18 g/mol, XLogP of 5.23, 1 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;(3R,4R,5S)-3-amino-1-tert-butyl-5-(trifluoromethyl)piperidin-4-ol;(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 159180231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).