(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol

C13H17F2NO2 — CID 134702526

IUPAC(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@H]1O
InChIInChI=1S/C13H17F2NO2/c14-11-3-9(4-12(15)5-11)6-16-2-1-13(18)10(7-16)8-17/h3-5,10,13,17-18H,1-2,6-8H2/t10-,13-/m1/s1
InChIKeyMNJFBUJQXSXQHE-ZWNOBZJWSA-N
MW257.28 g/mol
LogP1.14
Rot. Bonds3

About (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol

(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol (PubChem CID 134702526) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
PubChem CID134702526
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol
SMILESOC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@H]1O
InChIInChI=1S/C13H17F2NO2/c14-11-3-9(4-12(15)5-11)6-16-2-1-13(18)10(7-16)8-17/h3-5,10,13,17-18H,1-2,6-8H2/t10-,13-/m1/s1
InChIKeyMNJFBUJQXSXQHE-ZWNOBZJWSA-N
XLogP1.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidin-4-ol
CID 78461
(1-Benzylpiperidin-4-yl)methanol
CID 736802
(1-Benzylpiperidin-3-yl)methanol
CID 10398044
1-Benzyl-2,5-dimethylpiperidin-4-ol
CID 3104852
1-(4-Fluorobenzyl)piperidin-4-ol
CID 765229
trans 1-Benzyl-4-(4-fluorophenyl)-3-piperidinemethanol
CID 10881101
(3R,4R,5R)-5-(hydroxymethyl)-1-[(3-methylphenyl)methyl]piperidine-3,4-diol
CID 67510038
2-(1-Benzylpiperidin-4-yl)ethanol
CID 2725029
4,4-Difluoro-1-(phenylmethyl)-3-piperidinemethanol
CID 68290143
1-[(2,4-Difluorophenyl)methyl]piperidin-4-ol
CID 751883
1-[[3-(Trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 763220
1-(3-Fluorobenzyl)piperidin-3-ol
CID 2838400

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol (CID 134702526) is (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol is OC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
The InChIKey is MNJFBUJQXSXQHE-ZWNOBZJWSA-N. The full InChI is InChI=1S/C13H17F2NO2/c14-11-3-9(4-12(15)5-11)6-16-2-1-13(18)10(7-16)8-17/h3-5,10,13,17-18H,1-2,6-8H2/t10-,13-/m1/s1.
What are the key properties of (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol?
(3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol has a molecular weight of 257.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 134702526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).