(2R,4R,5R)-2-propylpiperidine-3,4,5-triol

C8H17NO3 — CID 89224432

IUPAC(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
SMILESCCC[C@H]1NC[C@@H](O)[C@@H](O)C1O
InChIInChI=1S/C8H17NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7?,8-/m1/s1
InChIKeyJFOGNLDWQBZRQJ-DCDLSZRSSA-N
MW175.23 g/mol
LogP-1.16
Rot. Bonds2

About (2R,4R,5R)-2-propylpiperidine-3,4,5-triol

(2R,4R,5R)-2-propylpiperidine-3,4,5-triol (PubChem CID 89224432) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2R,4R,5R)-2-propylpiperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
PubChem CID89224432
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
SMILESCCC[C@H]1NC[C@@H](O)[C@@H](O)C1O
InChIInChI=1S/C8H17NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7?,8-/m1/s1
InChIKeyJFOGNLDWQBZRQJ-DCDLSZRSSA-N
XLogP-1.16
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-propylpiperidine-3,4,5-triol?
The IUPAC name of (2R,4R,5R)-2-propylpiperidine-3,4,5-triol (CID 89224432) is (2R,4R,5R)-2-propylpiperidine-3,4,5-triol.
What is the SMILES notation for (2R,4R,5R)-2-propylpiperidine-3,4,5-triol?
The canonical SMILES for (2R,4R,5R)-2-propylpiperidine-3,4,5-triol is CCC[C@H]1NC[C@@H](O)[C@@H](O)C1O.
What is the InChIKey of (2R,4R,5R)-2-propylpiperidine-3,4,5-triol?
The InChIKey is JFOGNLDWQBZRQJ-DCDLSZRSSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-5-7(11)8(12)6(10)4-9-5/h5-12H,2-4H2,1H3/t5-,6-,7?,8-/m1/s1.
What are the key properties of (2R,4R,5R)-2-propylpiperidine-3,4,5-triol?
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol has a molecular weight of 175.23 g/mol, XLogP of -1.16, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-propylpiperidine-3,4,5-triol is sourced from PubChem (CID 89224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).