(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol

C28H58N6O3 — CID 135213255

IUPAC(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol
SMILESC[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1OCC(C)(C)N1CC[C@H](OCC(C)(C)N2CC[C@@H](O)[C@@H](N)C2)[C@@H](N)C1
InChIInChI=1S/C28H58N6O3/c1-19-13-34(26(2,3)4)16-22(31)25(19)37-18-28(7,8)33-12-10-24(21(30)15-33)36-17-27(5,6)32-11-9-23(35)20(29)14-32/h19-25,35H,9-18,29-31H2,1-8H3/t19-,20-,21-,22+,23+,24-,25+/m0/s1
InChIKeyXXWYXJRURGJCOQ-MHVKPSTLSA-N
MW526.81 g/mol
LogP0.82
Rot. Bonds8

About (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol

(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol (PubChem CID 135213255) has the molecular formula C28H58N6O3 and a molecular weight of 526.81 g/mol. Its IUPAC name is (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol
PubChem CID135213255
Molecular FormulaC28H58N6O3
Molecular Weight526.81 g/mol
Exact Mass526.46
IUPAC Name(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol
SMILESC[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1OCC(C)(C)N1CC[C@H](OCC(C)(C)N2CC[C@@H](O)[C@@H](N)C2)[C@@H](N)C1
InChIInChI=1S/C28H58N6O3/c1-19-13-34(26(2,3)4)16-22(31)25(19)37-18-28(7,8)33-12-10-24(21(30)15-33)36-17-27(5,6)32-11-9-23(35)20(29)14-32/h19-25,35H,9-18,29-31H2,1-8H3/t19-,20-,21-,22+,23+,24-,25+/m0/s1
InChIKeyXXWYXJRURGJCOQ-MHVKPSTLSA-N
XLogP0.82
TPSA126.47 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.81
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol?
The IUPAC name of (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol (CID 135213255) is (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol.
What is the SMILES notation for (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol?
The canonical SMILES for (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol is C[C@H]1CN(C(C)(C)C)C[C@@H](N)[C@@H]1OCC(C)(C)N1CC[C@H](OCC(C)(C)N2CC[C@@H](O)[C@@H](N)C2)[C@@H](N)C1.
What is the InChIKey of (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol?
The InChIKey is XXWYXJRURGJCOQ-MHVKPSTLSA-N. The full InChI is InChI=1S/C28H58N6O3/c1-19-13-34(26(2,3)4)16-22(31)25(19)37-18-28(7,8)33-12-10-24(21(30)15-33)36-17-27(5,6)32-11-9-23(35)20(29)14-32/h19-25,35H,9-18,29-31H2,1-8H3/t19-,20-,21-,22+,23+,24-,25+/m0/s1.
What are the key properties of (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol?
(3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol has a molecular weight of 526.81 g/mol, XLogP of 0.82, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-1-[1-[(3S,4S)-3-amino-1-[1-[(3R,4R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-yl]oxy-2-methylpropan-2-yl]piperidin-4-ol is sourced from PubChem (CID 135213255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).