1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol

C16H24FNO — CID 114594058

IUPAC1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CC(C)C(C)N(c2ccc(F)cc2C(C)O)C1
InChIInChI=1S/C16H24FNO/c1-10-7-11(2)12(3)18(9-10)16-6-5-14(17)8-15(16)13(4)19/h5-6,8,10-13,19H,7,9H2,1-4H3
InChIKeyCAYYBKCRZMSRIU-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.75
Rot. Bonds2

About 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol

1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol (PubChem CID 114594058) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
PubChem CID114594058
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
SMILESCC1CC(C)C(C)N(c2ccc(F)cc2C(C)O)C1
InChIInChI=1S/C16H24FNO/c1-10-7-11(2)12(3)18(9-10)16-6-5-14(17)8-15(16)13(4)19/h5-6,8,10-13,19H,7,9H2,1-4H3
InChIKeyCAYYBKCRZMSRIU-UHFFFAOYSA-N
XLogP3.75
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939708
(1S)-1-[2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol
CID 104939735
5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)benzoic acid
CID 114593911
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanol
CID 61226994
(1S)-1-[5-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 78939196
N-[[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594212
4-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 78946537
(1S)-1-[5-fluoro-4-methyl-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanamine
CID 104939710
3-iodo-4-(2,3,5-trimethylpiperidin-1-yl)aniline
CID 114591976
1-(2,4-difluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)propan-1-one
CID 114594131
1-[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]ethanol
CID 55216386
(1R)-1-[5-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 63371801

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol (CID 114594058) is 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol is CC1CC(C)C(C)N(c2ccc(F)cc2C(C)O)C1.
What is the InChIKey of 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is CAYYBKCRZMSRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-10-7-11(2)12(3)18(9-10)16-6-5-14(17)8-15(16)13(4)19/h5-6,8,10-13,19H,7,9H2,1-4H3.
What are the key properties of 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol?
1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 265.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 114594058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).