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

C14H20FNO2 — CID 81097570

IUPAC1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
SMILESC[C@H](O)c1cc(F)ccc1N1CCC(C)(O)CC1
InChIInChI=1S/C14H20FNO2/c1-10(17)12-9-11(15)3-4-13(12)16-7-5-14(2,18)6-8-16/h3-4,9-10,17-18H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyLYILHXJKFUMXFT-JTQLQIEISA-N
MW253.32 g/mol
LogP2.23
Rot. Bonds2

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

1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol (PubChem CID 81097570) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
PubChem CID81097570
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol
SMILESC[C@H](O)c1cc(F)ccc1N1CCC(C)(O)CC1
InChIInChI=1S/C14H20FNO2/c1-10(17)12-9-11(15)3-4-13(12)16-7-5-14(2,18)6-8-16/h3-4,9-10,17-18H,5-8H2,1-2H3/t10-/m0/s1
InChIKeyLYILHXJKFUMXFT-JTQLQIEISA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol (CID 81097570) is 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol is C[C@H](O)c1cc(F)ccc1N1CCC(C)(O)CC1.
What is the InChIKey of 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol?
The InChIKey is LYILHXJKFUMXFT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(17)12-9-11(15)3-4-13(12)16-7-5-14(2,18)6-8-16/h3-4,9-10,17-18H,5-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol?
1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol has a molecular weight of 253.32 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).