[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol

C15H22FNO2 — CID 99792178

IUPAC[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol
SMILESC[C@@]1(CO)CCCCN1CCOc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-15(12-18)8-4-5-9-17(15)10-11-19-14-7-3-2-6-13(14)16/h2-3,6-7,18H,4-5,8-12H2,1H3/t15-/m0/s1
InChIKeyTUMMBAJJKCGSLO-HNNXBMFYSA-N
MW267.34 g/mol
LogP2.44
Rot. Bonds5

About [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol

[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol (PubChem CID 99792178) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol
PubChem CID99792178
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol
SMILESC[C@@]1(CO)CCCCN1CCOc1ccccc1F
InChIInChI=1S/C15H22FNO2/c1-15(12-18)8-4-5-9-17(15)10-11-19-14-7-3-2-6-13(14)16/h2-3,6-7,18H,4-5,8-12H2,1H3/t15-/m0/s1
InChIKeyTUMMBAJJKCGSLO-HNNXBMFYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol (CID 99792178) is [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol is C[C@@]1(CO)CCCCN1CCOc1ccccc1F.
What is the InChIKey of [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol?
The InChIKey is TUMMBAJJKCGSLO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(12-18)8-4-5-9-17(15)10-11-19-14-7-3-2-6-13(14)16/h2-3,6-7,18H,4-5,8-12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol?
[(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol has a molecular weight of 267.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 99792178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).