(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol

C15H22FNO — CID 104874438

IUPAC(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
SMILESCC1CCN(c2cccc(F)c2[C@H](C)O)CC1C
InChIInChI=1S/C15H22FNO/c1-10-7-8-17(9-11(10)2)14-6-4-5-13(16)15(14)12(3)18/h4-6,10-12,18H,7-9H2,1-3H3/t10?,11?,12-/m0/s1
InChIKeyKMEICZYTWIMSNU-MCIGGMRASA-N
MW251.34 g/mol
LogP3.36
Rot. Bonds2

About (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol

(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol (PubChem CID 104874438) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
PubChem CID104874438
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
SMILESCC1CCN(c2cccc(F)c2[C@H](C)O)CC1C
InChIInChI=1S/C15H22FNO/c1-10-7-8-17(9-11(10)2)14-6-4-5-13(16)15(14)12(3)18/h4-6,10-12,18H,7-9H2,1-3H3/t10?,11?,12-/m0/s1
InChIKeyKMEICZYTWIMSNU-MCIGGMRASA-N
XLogP3.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperidin-4-ol
CID 104940982
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 (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol (CID 104874438) is (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol is CC1CCN(c2cccc(F)c2[C@H](C)O)CC1C.
What is the InChIKey of (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is KMEICZYTWIMSNU-MCIGGMRASA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-7-8-17(9-11(10)2)14-6-4-5-13(16)15(14)12(3)18/h4-6,10-12,18H,7-9H2,1-3H3/t10?,11?,12-/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 104874438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).