2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol

C20H24FNO2 — CID 95895040

IUPAC2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCCC[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C20H24FNO2/c21-18-7-4-6-17(14-18)20-9-1-2-10-22(20)15-16-5-3-8-19(13-16)24-12-11-23/h3-8,13-14,20,23H,1-2,9-12,15H2/t20-/m0/s1
InChIKeyTXIDMQIGVMTBCL-FQEVSTJZSA-N
MW329.42 g/mol
LogP3.92
Rot. Bonds6

About 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 95895040) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID95895040
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1cccc(CN2CCCC[C@H]2c2cccc(F)c2)c1
InChIInChI=1S/C20H24FNO2/c21-18-7-4-6-17(14-18)20-9-1-2-10-22(20)15-16-5-3-8-19(13-16)24-12-11-23/h3-8,13-14,20,23H,1-2,9-12,15H2/t20-/m0/s1
InChIKeyTXIDMQIGVMTBCL-FQEVSTJZSA-N
XLogP3.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol
CID 110109139
2-[3-[[(2R)-2-phenylpiperazin-1-yl]methyl]phenoxy]ethanol
CID 125007699
2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 125002714
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
N-[4-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]phenyl]acetamide
CID 99957918
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
2-(3-fluorophenyl)-5-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]pyridine
CID 124995760
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol (CID 95895040) is 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol is OCCOc1cccc(CN2CCCC[C@H]2c2cccc(F)c2)c1.
What is the InChIKey of 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is TXIDMQIGVMTBCL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24FNO2/c21-18-7-4-6-17(14-18)20-9-1-2-10-22(20)15-16-5-3-8-19(13-16)24-12-11-23/h3-8,13-14,20,23H,1-2,9-12,15H2/t20-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 329.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 95895040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).