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

C54H114N10O3 — CID 158581312

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

(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine (PubChem CID 158581312) has the molecular formula C54H114N10O3 and a molecular weight of 951.57 g/mol. Its IUPAC name is (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine.

Molecular Properties

• Compound Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine
• PubChem CID: 158581312
• Molecular Formula: C54H114N10O3
• Molecular Weight: 951.57 g/mol
• Exact Mass: 950.91
• IUPAC Name: (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine
• SMILES: CC(C)(C)N1C[C@@H](N)C[C@@H](C2CC2)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.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O.C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1O
• InChI: InChI=1S/C12H24N2O.C12H24N2.2C10H22N2O.C10H22N2/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;2*1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-8-5-9(11)7-12(6-8)10(2,3)4/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;2*7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3/t9-,10-,11-;10-,11+;2*7-,8+,9+;8-,9+/m11001/s1
• InChIKey: HTHATEJWMPPQSO-ZFWIDZOZSA-N
• XLogP: 4.96
• TPSA: 206.99 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 13
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.57
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine (CID 158581312) is (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine.

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

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

The InChIKey is HTHATEJWMPPQSO-ZFWIDZOZSA-N. The full InChI is InChI=1S/C12H24N2O.C12H24N2.2C10H22N2O.C10H22N2/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;2*1-7-5-12(10(2,3)4)6-8(11)9(7)13;1-8-5-9(11)7-12(6-8)10(2,3)4/h8-11,15H,4-7,13H2,1-3H3;9-11H,4-8,13H2,1-3H3;2*7-9,13H,5-6,11H2,1-4H3;8-9H,5-7,11H2,1-4H3/t9-,10-,11-;10-,11+;2*7-,8+,9+;8-,9+/m11001/s1.

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

(3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine has a molecular weight of 951.57 g/mol, XLogP of 4.96, 2 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R,5S)-3-amino-1-tert-butyl-5-cyclopropylpiperidin-4-ol;bis((3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-ol);(3S,5S)-1-tert-butyl-5-cyclopropylpiperidin-3-amine;(3S,5R)-1-tert-butyl-5-methylpiperidin-3-amine is sourced from PubChem (CID 158581312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).