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

C15H22FNO — CID 55184132

IUPAC(1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCC(C)(C)CC1
InChIInChI=1S/C15H22FNO/c1-11(18)14-12(16)5-4-6-13(14)17-9-7-15(2,3)8-10-17/h4-6,11,18H,7-10H2,1-3H3/t11-/m0/s1
InChIKeyKWEXJHOIMXEHPH-NSHDSACASA-N
MW251.34 g/mol
LogP3.51
Rot. Bonds2

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

(1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol (PubChem CID 55184132) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
PubChem CID55184132
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol
SMILESC[C@H](O)c1c(F)cccc1N1CCC(C)(C)CC1
InChIInChI=1S/C15H22FNO/c1-11(18)14-12(16)5-4-6-13(14)17-9-7-15(2,3)8-10-17/h4-6,11,18H,7-10H2,1-3H3/t11-/m0/s1
InChIKeyKWEXJHOIMXEHPH-NSHDSACASA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol (CID 55184132) is (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol is C[C@H](O)c1c(F)cccc1N1CCC(C)(C)CC1.
What is the InChIKey of (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
The InChIKey is KWEXJHOIMXEHPH-NSHDSACASA-N. The full InChI is InChI=1S/C15H22FNO/c1-11(18)14-12(16)5-4-6-13(14)17-9-7-15(2,3)8-10-17/h4-6,11,18H,7-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol?
(1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4,4-dimethylpiperidin-1-yl)-6-fluorophenyl]ethanol is sourced from PubChem (CID 55184132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).