2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol

C15H23NO4 — CID 90787196

IUPAC2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol
SMILESCCC(c1ccccc1)N1CC(O)C(O)C(O)C1CO
InChIInChI=1S/C15H23NO4/c1-2-11(10-6-4-3-5-7-10)16-8-13(18)15(20)14(19)12(16)9-17/h3-7,11-15,17-20H,2,8-9H2,1H3
InChIKeyHFUBMFGRAQZFDE-UHFFFAOYSA-N
MW281.35 g/mol
LogP-0.10
Rot. Bonds4

About 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol

2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol (PubChem CID 90787196) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol
PubChem CID90787196
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol
SMILESCCC(c1ccccc1)N1CC(O)C(O)C(O)C1CO
InChIInChI=1S/C15H23NO4/c1-2-11(10-6-4-3-5-7-10)16-8-13(18)15(20)14(19)12(16)9-17/h3-7,11-15,17-20H,2,8-9H2,1H3
InChIKeyHFUBMFGRAQZFDE-UHFFFAOYSA-N
XLogP-0.10
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
CID 12852784
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
2,2,6,6-tetramethyl-1-(1-phenylpropyl)piperidin-4-ol
CID 141174463
(3S,4S,5S,6S)-1-benzhydrylazepane-3,4,5,6-tetrol
CID 10568359
(2R,3R,4S,5R)-2-(difluoromethyl)-1-[(1R)-1-phenylethyl]piperidine-3,4,5-triol
CID 10016901
3-ethyl-2-(1-phenylpropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79918313
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[4-(2-phenylethenyl)phenyl]methyl]piperidine-3,4,5-triol
CID 90944438
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(3R,4R)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol;hydrochloride
CID 71316559

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol (CID 90787196) is 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol is CCC(c1ccccc1)N1CC(O)C(O)C(O)C1CO.
What is the InChIKey of 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol?
The InChIKey is HFUBMFGRAQZFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-11(10-6-4-3-5-7-10)16-8-13(18)15(20)14(19)12(16)9-17/h3-7,11-15,17-20H,2,8-9H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol?
2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol has a molecular weight of 281.35 g/mol, XLogP of -0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-(1-phenylpropyl)piperidine-3,4,5-triol is sourced from PubChem (CID 90787196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).