1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol

C14H20FNO2 — CID 104940982

IUPAC1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2cccc(F)c2[C@@H](C)O)CCC1O
InChIInChI=1S/C14H20FNO2/c1-9-8-16(7-6-13(9)18)12-5-3-4-11(15)14(12)10(2)17/h3-5,9-10,13,17-18H,6-8H2,1-2H3/t9?,10-,13?/m1/s1
InChIKeyMRTHSGUQJKMIFJ-RUETXSTFSA-N
MW253.32 g/mol
LogP2.09
Rot. Bonds2

About 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol

1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol (PubChem CID 104940982) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
PubChem CID104940982
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
SMILESCC1CN(c2cccc(F)c2[C@@H](C)O)CCC1O
InChIInChI=1S/C14H20FNO2/c1-9-8-16(7-6-13(9)18)12-5-3-4-11(15)14(12)10(2)17/h3-5,9-10,13,17-18H,6-8H2,1-2H3/t9?,10-,13?/m1/s1
InChIKeyMRTHSGUQJKMIFJ-RUETXSTFSA-N
XLogP2.09
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-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

(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 104874438
1-[3-fluoro-2-(1-hydroxyethyl)phenyl]pyrrolidin-3-ol
CID 62943959
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
(1R)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 78941188
(1S)-1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-fluorophenyl]ethanol
CID 78939853
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)-6-fluorophenyl]ethanol
CID 78946556
1-[2-fluoro-6-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597980
1-[2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-6-fluorophenyl]ethanol
CID 81475031
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 43505903
(1R)-1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55184646

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol (CID 104940982) is 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol is CC1CN(c2cccc(F)c2[C@@H](C)O)CCC1O.
What is the InChIKey of 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol?
The InChIKey is MRTHSGUQJKMIFJ-RUETXSTFSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-8-16(7-6-13(9)18)12-5-3-4-11(15)14(12)10(2)17/h3-5,9-10,13,17-18H,6-8H2,1-2H3/t9?,10-,13?/m1/s1.
What are the key properties of 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol?
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol has a molecular weight of 253.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 104940982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).