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

C63H128F6N12O2 — CID 157064634

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

(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (PubChem CID 157064634) has the molecular formula C63H128F6N12O2 and a molecular weight of 1199.79 g/mol. Its IUPAC name is (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-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-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
• PubChem CID: 157064634
• Molecular Formula: C63H128F6N12O2
• Molecular Weight: 1199.79 g/mol
• Exact Mass: 1199.02
• IUPAC Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine
• SMILES: CC(C)(C)N1CCC[C@H](N)C1.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.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1
• InChI: InChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2.C9H20N2/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14;1-12(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;1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t9-,10-,11-;10-,11+;6-,7+,8+;7-,8+;8-,9+;8-/m110110/s1
• InChIKey: ABSQKIXKGTYXPP-UNMZMBQNSA-N
• XLogP: 8.28
• TPSA: 216.02 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 2
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1199.79
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-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-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine (CID 157064634) is (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-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-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-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-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is CC(C)(C)N1CCC[C@H](N)C1.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.CC(C)(C)N1C[C@@H](N)[C@H](O)[C@@H](C2CC2)C1.C[C@@H]1C[C@H](N)CN(C(C)(C)C)C1.

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

The InChIKey is ABSQKIXKGTYXPP-UNMZMBQNSA-N. The full InChI is InChI=1S/C12H24N2O.C12H24N2.C10H19F3N2O.C10H19F3N2.C10H22N2.C9H20N2/c1-12(2,3)14-6-9(8-4-5-8)11(15)10(13)7-14;1-12(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;1-8-5-9(11)7-12(6-8)10(2,3)4;1-9(2,3)11-6-4-5-8(10)7-11/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;6-8,16H,4-5,14H2,1-3H3;7-8H,4-6,14H2,1-3H3;8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t9-,10-,11-;10-,11+;6-,7+,8+;7-,8+;8-,9+;8-/m110110/s1.

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

(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine has a molecular weight of 1199.79 g/mol, XLogP of 8.28, 2 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-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-methylpiperidin-3-amine;(3S)-1-tert-butylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-(trifluoromethyl)piperidin-3-amine is sourced from PubChem (CID 157064634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).