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

C15H23NO4 — CID 166524489

IUPAC(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol
SMILESOC[C@@]1(CCCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO4/c17-10-15(14(20)13(19)12(18)9-16-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-14,16-20H,4,7-10H2/t12-,13+,14-,15+/m0/s1
InChIKeyMIBOIJNLAPFANC-LJISPDSOSA-N
MW281.35 g/mol
LogP-0.57
Rot. Bonds5

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

(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol (PubChem CID 166524489) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol
PubChem CID166524489
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol
SMILESOC[C@@]1(CCCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H23NO4/c17-10-15(14(20)13(19)12(18)9-16-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-14,16-20H,4,7-10H2/t12-,13+,14-,15+/m0/s1
InChIKeyMIBOIJNLAPFANC-LJISPDSOSA-N
XLogP-0.57
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 5-0.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S)-2-(hydroxymethyl)-2-nonylpiperidine-3,4,5-triol;hydrochloride
CID 164628094
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(2-trimethylsilylethyl)piperidine-3,4,5-triol
CID 166524490
[2-methyl-1-(3-phenylpropyl)cyclopropyl]methanol
CID 20672612
2-phenyl-2-(3-phenylpropyl)pyrrolidine
CID 167199912
2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]pyrrolidin-2-yl]-N-ethylacetamide
CID 90045070
4,4-dimethyl-1-(3-phenylpropyl)cyclohexan-1-ol
CID 10490686
4-phenylbutylbenzene
CID 141301927
N-[(3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-(3-phenylpropyl)pyrrolidin-3-yl]propanamide
CID 90044016
(2R)-2-(3-phenylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 45026916
[4-tert-butyl-1-(3-phenylpropyl)cyclohexyl]methanol
CID 66024369
4,4-dimethyl-1-(3-phenylpropyl)cycloheptan-1-ol
CID 65151412
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol (CID 166524489) is (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol is OC[C@@]1(CCCc2ccccc2)NC[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol?
The InChIKey is MIBOIJNLAPFANC-LJISPDSOSA-N. The full InChI is InChI=1S/C15H23NO4/c17-10-15(14(20)13(19)12(18)9-16-15)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-14,16-20H,4,7-10H2/t12-,13+,14-,15+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol?
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol has a molecular weight of 281.35 g/mol, XLogP of -0.57, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol is sourced from PubChem (CID 166524489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).