(3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol

C14H20FNO3 — CID 157039363

IUPAC(3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CC(O)[C@@H](O)CN1CCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c15-11-3-1-10(2-4-11)5-6-16-8-14(19)13(18)7-12(16)9-17/h1-4,12-14,17-19H,5-9H2/t12-,13?,14+/m1/s1
InChIKeyYKJFIDYCZNZYPJ-YIOYIWSBSA-N
MW269.32 g/mol
LogP0.16
Rot. Bonds4

About (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol

(3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol (PubChem CID 157039363) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
PubChem CID157039363
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name(3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
SMILESOC[C@H]1CC(O)[C@@H](O)CN1CCc1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c15-11-3-1-10(2-4-11)5-6-16-8-14(19)13(18)7-12(16)9-17/h1-4,12-14,17-19H,5-9H2/t12-,13?,14+/m1/s1
InChIKeyYKJFIDYCZNZYPJ-YIOYIWSBSA-N
XLogP0.16
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
CID 9860102
(2R)-3-[(2S,6R)-2,6-bis[2-(3-fluorophenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 76311251
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-1-(3-phenylpropyl)-, (2R,3R,4R,5S)-
CID 451530
N-(3-phenyl-2-propenyl)-1-deoxynojirimycin
CID 6438405
(2R,3R,4R)-2-(Hydroxymethyl)-1-(2-phenylethyl)piperidine-3,4-diol
CID 15945971
3-Phenyl-2-(piperidin-1-yl)propan-1-ol
CID 201862
(2R,3R,4R,5S)-2-(hydroxymethyl)-2-(3-phenylpropyl)piperidine-3,4,5-triol
CID 166524489
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-{5-[4-(2-methoxyethyl)phenyl]pentyl}piperidine-3,4,5-triol
CID 166625089
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine-3,4,5-triol
CID 10246813
(2S)-3-[(2S,6R)-2,6-bis[2-(3-fluorophenyl)ethyl]piperidin-1-yl]propane-1,2-diol
CID 76322133
(3,3-bis(4-FPh)2-propenyl)DNJ
CID 14819944
(3-(4-FPh)2-propenyl)DNJ
CID 14819947

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol?
The IUPAC name of (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol (CID 157039363) is (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol.
What is the SMILES notation for (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol?
The canonical SMILES for (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol is OC[C@H]1CC(O)[C@@H](O)CN1CCc1ccc(F)cc1.
What is the InChIKey of (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol?
The InChIKey is YKJFIDYCZNZYPJ-YIOYIWSBSA-N. The full InChI is InChI=1S/C14H20FNO3/c15-11-3-1-10(2-4-11)5-6-16-8-14(19)13(18)7-12(16)9-17/h1-4,12-14,17-19H,5-9H2/t12-,13?,14+/m1/s1.
What are the key properties of (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol?
(3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol has a molecular weight of 269.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-[2-(4-fluorophenyl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol is sourced from PubChem (CID 157039363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).