(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol

C15H23NO3 — CID 73292087

IUPAC(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol
SMILESC[C@@H]1N[C@H](CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO3/c1-10-13(17)15(19)14(18)12(16-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12-19H,5,8-9H2,1H3/t10-,12+,13+,14+,15+/m0/s1
InChIKeyQBPZWWWMCXGUGR-URWOTSEESA-N
MW265.35 g/mol
LogP0.45
Rot. Bonds4

About (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol

(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol (PubChem CID 73292087) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol
PubChem CID73292087
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol
SMILESC[C@@H]1N[C@H](CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO3/c1-10-13(17)15(19)14(18)12(16-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12-19H,5,8-9H2,1H3/t10-,12+,13+,14+,15+/m0/s1
InChIKeyQBPZWWWMCXGUGR-URWOTSEESA-N
XLogP0.45
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol (CID 73292087) is (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol is C[C@@H]1N[C@H](CCCc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol?
The InChIKey is QBPZWWWMCXGUGR-URWOTSEESA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-13(17)15(19)14(18)12(16-10)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10,12-19H,5,8-9H2,1H3/t10-,12+,13+,14+,15+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol?
(2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol has a molecular weight of 265.35 g/mol, XLogP of 0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-methyl-6-(3-phenylpropyl)piperidine-3,4,5-triol is sourced from PubChem (CID 73292087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).