(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol

C16H24FNO2 — CID 27044185

IUPAC(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
SMILESC[C@@H]1C[C@H](C)CN(C[C@@H](O)COc2ccccc2F)C1
InChIInChI=1S/C16H24FNO2/c1-12-7-13(2)9-18(8-12)10-14(19)11-20-16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyYFSDLIXTIDZVDO-HZSPNIEDSA-N
MW281.37 g/mol
LogP2.54
Rot. Bonds5

About (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol

(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol (PubChem CID 27044185) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
PubChem CID27044185
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
SMILESC[C@@H]1C[C@H](C)CN(C[C@@H](O)COc2ccccc2F)C1
InChIInChI=1S/C16H24FNO2/c1-12-7-13(2)9-18(8-12)10-14(19)11-20-16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11H2,1-2H3/t12-,13+,14-/m1/s1
InChIKeyYFSDLIXTIDZVDO-HZSPNIEDSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
CID 100899686
1-(3,5-dimethylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 4914511
1-[(3,5-dimethylcyclohexyl)amino]-3-(2-fluorophenoxy)propan-2-ol
CID 64731894
1-(4-bromo-2,6-difluorophenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3415689
1-(2-tert-butyl-4-methylphenoxy)-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 3416270
(2S)-1-[2-(2-bromophenoxy)ethoxy]-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 7424701
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-[2-(4-fluorophenoxy)ethoxy]propan-2-ol
CID 100802808
1-(2,5-difluorophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 109415726
(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
CID 124888330
(2R)-1-(4-bromophenoxy)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-ol
CID 42559881

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol (CID 27044185) is (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol is C[C@@H]1C[C@H](C)CN(C[C@@H](O)COc2ccccc2F)C1.
What is the InChIKey of (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
The InChIKey is YFSDLIXTIDZVDO-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-12-7-13(2)9-18(8-12)10-14(19)11-20-16-6-4-3-5-15(16)17/h3-6,12-14,19H,7-11H2,1-2H3/t12-,13+,14-/m1/s1.
What are the key properties of (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol?
(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol has a molecular weight of 281.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 27044185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).