1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol

C14H21NO3 — CID 157039058

IUPAC1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
SMILESC[C@H](CN1CC(O)C(O)C(O)C1)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(11-5-3-2-4-6-11)7-15-8-12(16)14(18)13(17)9-15/h2-6,10,12-14,16-18H,7-9H2,1H3/t10-,12?,13?,14?/m1/s1
InChIKeyQTKSLGBKAUOYLT-GOHLOCJQSA-N
MW251.33 g/mol
LogP0.19
Rot. Bonds3

About 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol

1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol (PubChem CID 157039058) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
PubChem CID157039058
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol
SMILESC[C@H](CN1CC(O)C(O)C(O)C1)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-10(11-5-3-2-4-6-11)7-15-8-12(16)14(18)13(17)9-15/h2-6,10,12-14,16-18H,7-9H2,1H3/t10-,12?,13?,14?/m1/s1
InChIKeyQTKSLGBKAUOYLT-GOHLOCJQSA-N
XLogP0.19
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-phenylpropyl]piperidine-3,4,5-triol
CID 157039301
1-(2-phenylpropyl)azetidin-3-ol
CID 121200321
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
[(3R)-1-[(2S)-2-phenylpropyl]piperidin-3-yl]methanol
CID 129425520
3-methyl-1-(2-phenylpropyl)piperazine
CID 65416584
4-[1-[(3aS,6aR)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-2-yl]phenol
CID 126687196
4-[(2S)-2-phenylpropyl]morpholine
CID 757569
3-methyl-1-(2-phenylpropyl)piperidin-4-amine
CID 79879108
N-methyl-1-(2-phenylpropyl)piperidin-3-amine
CID 55086340
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
N-[[1-(2-phenylpropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 113430223
1-phenyl-4-[(2R)-2-phenylpropyl]piperazine
CID 782660

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol (CID 157039058) is 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol is C[C@H](CN1CC(O)C(O)C(O)C1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol?
The InChIKey is QTKSLGBKAUOYLT-GOHLOCJQSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(11-5-3-2-4-6-11)7-15-8-12(16)14(18)13(17)9-15/h2-6,10,12-14,16-18H,7-9H2,1H3/t10-,12?,13?,14?/m1/s1.
What are the key properties of 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol?
1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol has a molecular weight of 251.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-phenylpropyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).