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

C50H110N10O — CID 158769273

About (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-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;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) (PubChem CID 158769273) has the molecular formula C50H110N10O and a molecular weight of 867.50 g/mol. Its IUPAC name is (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-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;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
• PubChem CID: 158769273
• Molecular Formula: C50H110N10O
• Molecular Weight: 867.50 g/mol
• Exact Mass: 866.89
• IUPAC Name: (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)
• SMILES: 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]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/C10H22N2O.4C10H22N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;4*1-8-5-9(11)7-12(6-8)10(2,3)4/h7-9,13H,5-6,11H2,1-4H3;4*8-9H,5-7,11H2,1-4H3/t7-,8+,9+;4*8-,9+/m11100/s1
• InChIKey: IPQUYXXNLHQEPO-WAFNMESJSA-N
• XLogP: 6.24
• TPSA: 166.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	867.50
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-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;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) (CID 158769273) is (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-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;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;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine) is 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]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;bis((3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine);bis((3R,5S)-1-tert-butyl-5-methylpiperidin-3-amine)?

The InChIKey is IPQUYXXNLHQEPO-WAFNMESJSA-N. The full InChI is InChI=1S/C10H22N2O.4C10H22N2/c1-7-5-12(10(2,3)4)6-8(11)9(7)13;4*1-8-5-9(11)7-12(6-8)10(2,3)4/h7-9,13H,5-6,11H2,1-4H3;4*8-9H,5-7,11H2,1-4H3/t7-,8+,9+;4*8-,9+/m11100/s1.

What are the key properties of (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-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;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 867.50 g/mol, XLogP of 6.24, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S,5R)-3-amino-1-tert-butyl-5-methylpiperidin-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 158769273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).