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

C30H62N6O — CID 135213257

IUPAC(3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol
SMILESC[C@@H]1CN(C(C)(C)C)C[C@H](N)C1CC(C)(C)N1C[C@@H](N)C(CC(C)(C)N2C[C@@H](C)[C@H](O)[C@@H](N)C2)[C@@H](C)C1
InChIInChI=1S/C30H62N6O/c1-19-13-34(28(4,5)6)16-24(31)22(19)11-29(7,8)35-14-20(2)23(25(32)17-35)12-30(9,10)36-15-21(3)27(37)26(33)18-36/h19-27,37H,11-18,31-33H2,1-10H3/t19-,20+,21-,22?,23?,24+,25-,26+,27+/m1/s1
InChIKeyYLHOISZZOIKTLW-MULDZNOFSA-N
MW522.87 g/mol
LogP2.55
Rot. Bonds6

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

(3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol (PubChem CID 135213257) has the molecular formula C30H62N6O and a molecular weight of 522.87 g/mol. Its IUPAC name is (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol
PubChem CID135213257
Molecular FormulaC30H62N6O
Molecular Weight522.87 g/mol
Exact Mass522.50
IUPAC Name(3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol
SMILESC[C@@H]1CN(C(C)(C)C)C[C@H](N)C1CC(C)(C)N1C[C@@H](N)C(CC(C)(C)N2C[C@@H](C)[C@H](O)[C@@H](N)C2)[C@@H](C)C1
InChIInChI=1S/C30H62N6O/c1-19-13-34(28(4,5)6)16-24(31)22(19)11-29(7,8)35-14-20(2)23(25(32)17-35)12-30(9,10)36-15-21(3)27(37)26(33)18-36/h19-27,37H,11-18,31-33H2,1-10H3/t19-,20+,21-,22?,23?,24+,25-,26+,27+/m1/s1
InChIKeyYLHOISZZOIKTLW-MULDZNOFSA-N
XLogP2.55
TPSA108.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.87
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
3-[1-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-methylpropan-2-yl]-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 170012194
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
methyl N-[(3R,4S,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-N-methylcarbamate
CID 118531742
3-amino-1-(dimethylamino)-5-methylpiperidin-4-ol
CID 149384766
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
CID 172518129
(3R,4S)-3-amino-1-tert-butylpiperidin-4-ol
CID 90286839
(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol
CID 172518164
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol?
The IUPAC name of (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol (CID 135213257) is (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol is C[C@@H]1CN(C(C)(C)C)C[C@H](N)C1CC(C)(C)N1C[C@@H](N)C(CC(C)(C)N2C[C@@H](C)[C@H](O)[C@@H](N)C2)[C@@H](C)C1.
What is the InChIKey of (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol?
The InChIKey is YLHOISZZOIKTLW-MULDZNOFSA-N. The full InChI is InChI=1S/C30H62N6O/c1-19-13-34(28(4,5)6)16-24(31)22(19)11-29(7,8)35-14-20(2)23(25(32)17-35)12-30(9,10)36-15-21(3)27(37)26(33)18-36/h19-27,37H,11-18,31-33H2,1-10H3/t19-,20+,21-,22?,23?,24+,25-,26+,27+/m1/s1.
What are the key properties of (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol?
(3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol has a molecular weight of 522.87 g/mol, XLogP of 2.55, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R)-3-amino-1-[1-[(3S,5R)-3-amino-1-[1-[(3R,5S)-3-amino-1-tert-butyl-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-yl]-2-methylpropan-2-yl]-5-methylpiperidin-4-ol is sourced from PubChem (CID 135213257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).