(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol

C14H20FNO — CID 78939196

IUPAC(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CCCN(c2ccc(F)cc2[C@H](C)O)C1
InChIInChI=1S/C14H20FNO/c1-10-4-3-7-16(9-10)14-6-5-12(15)8-13(14)11(2)17/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/t10?,11-/m0/s1
InChIKeyLGANOHLIYSXIEO-DTIOYNMSSA-N
MW237.32 g/mol
LogP3.12
Rot. Bonds2

About (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol

(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol (PubChem CID 78939196) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
PubChem CID78939196
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CCCN(c2ccc(F)cc2[C@H](C)O)C1
InChIInChI=1S/C14H20FNO/c1-10-4-3-7-16(9-10)14-6-5-12(15)8-13(14)11(2)17/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/t10?,11-/m0/s1
InChIKeyLGANOHLIYSXIEO-DTIOYNMSSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol 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-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
1-[5-fluoro-2-[3-(2-hydroxyethyl)piperidin-1-yl]phenyl]ethanol
CID 107227955
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801
1-[5-fluoro-2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 112626307
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
(1R)-1-[2-[4-(dimethylamino)piperidin-1-yl]-5-fluorophenyl]ethanol
CID 55184659
(1S)-1-[5-fluoro-2-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanol
CID 78939384
1-[5-bromo-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 82969968
(1R)-1-[5-fluoro-2-(4-methoxypiperidin-1-yl)phenyl]ethanol
CID 55183365
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 114059063
1-[5-bromo-2-(4-methylazepan-1-yl)phenyl]ethanol
CID 82970945
1-[4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-1-yl]ethanone
CID 78940715

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol (CID 78939196) is (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol is CC1CCCN(c2ccc(F)cc2[C@H](C)O)C1.
What is the InChIKey of (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is LGANOHLIYSXIEO-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-4-3-7-16(9-10)14-6-5-12(15)8-13(14)11(2)17/h5-6,8,10-11,17H,3-4,7,9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol?
(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 237.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 78939196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).