(3R,5S)-1-tert-butylpiperidine-3,4,5-triol

C9H19NO3 — CID 172518129

IUPAC(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
SMILESCC(C)(C)N1C[C@@H](O)C(O)[C@@H](O)C1
InChIInChI=1S/C9H19NO3/c1-9(2,3)10-4-6(11)8(13)7(12)5-10/h6-8,11-13H,4-5H2,1-3H3/t6-,7+,8?
InChIKeyRZGGRBPEKFRUFP-DHBOJHSNSA-N
MW189.25 g/mol
LogP-0.82
Rot. Bonds

About (3R,5S)-1-tert-butylpiperidine-3,4,5-triol

(3R,5S)-1-tert-butylpiperidine-3,4,5-triol (PubChem CID 172518129) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is (3R,5S)-1-tert-butylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
PubChem CID172518129
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name(3R,5S)-1-tert-butylpiperidine-3,4,5-triol
SMILESCC(C)(C)N1C[C@@H](O)C(O)[C@@H](O)C1
InChIInChI=1S/C9H19NO3/c1-9(2,3)10-4-6(11)8(13)7(12)5-10/h6-8,11-13H,4-5H2,1-3H3/t6-,7+,8?
InChIKeyRZGGRBPEKFRUFP-DHBOJHSNSA-N
XLogP-0.82
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-4-methylpyrrolidin-3-ol
CID 58311491
3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-ol
CID 90396044
(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
CID 159687975
(3R,4R)-4-amino-1-tert-butylpyrrolidin-3-ol
CID 158152274
(3R,4R,5R)-1-tert-butyl-5-(methoxymethyl)piperidine-3,4-diol
CID 172518164
(3R,4R,5S)-1-tert-butyl-4,5-dimethylpiperidin-3-ol
CID 11889808
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
CID 139039444
(4S)-1,3-ditert-butyl-4-fluoropyrrolidine
CID 153470719
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 140929393
(3R,4S)-1-tert-butyl-4-methylpiperidin-3-ol;ethane
CID 161248171
(2S,3R,4R,5S)-1-tert-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 130313759

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-tert-butylpiperidine-3,4,5-triol?
The IUPAC name of (3R,5S)-1-tert-butylpiperidine-3,4,5-triol (CID 172518129) is (3R,5S)-1-tert-butylpiperidine-3,4,5-triol.
What is the SMILES notation for (3R,5S)-1-tert-butylpiperidine-3,4,5-triol?
The canonical SMILES for (3R,5S)-1-tert-butylpiperidine-3,4,5-triol is CC(C)(C)N1C[C@@H](O)C(O)[C@@H](O)C1.
What is the InChIKey of (3R,5S)-1-tert-butylpiperidine-3,4,5-triol?
The InChIKey is RZGGRBPEKFRUFP-DHBOJHSNSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)10-4-6(11)8(13)7(12)5-10/h6-8,11-13H,4-5H2,1-3H3/t6-,7+,8?.
What are the key properties of (3R,5S)-1-tert-butylpiperidine-3,4,5-triol?
(3R,5S)-1-tert-butylpiperidine-3,4,5-triol has a molecular weight of 189.25 g/mol, XLogP of -0.82, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-tert-butylpiperidine-3,4,5-triol is sourced from PubChem (CID 172518129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).