[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H23FN2O3 — CID 126423261

IUPAC[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C16H23FN2O3/c17-12-4-5-15(22-10-7-18)14(11-12)16(21)19-8-2-1-3-13(19)6-9-20/h4-5,11,13,20H,1-3,6-10,18H2/t13-/m0/s1
InChIKeyNCMQZBIJJRCUEG-ZDUSSCGKSA-N
MW310.37 g/mol
LogP1.54
Rot. Bonds6

About [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone

[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 126423261) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID126423261
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1CCO
InChIInChI=1S/C16H23FN2O3/c17-12-4-5-15(22-10-7-18)14(11-12)16(21)19-8-2-1-3-13(19)6-9-20/h4-5,11,13,20H,1-3,6-10,18H2/t13-/m0/s1
InChIKeyNCMQZBIJJRCUEG-ZDUSSCGKSA-N
XLogP1.54
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
[2-(2-aminoethoxy)-5-fluorophenyl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 166174937
[2-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299399
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 125163469
(2-bromo-4,5-difluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 86814312
[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 126449120
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891
[2-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119631884
acetic acid;[2-(2-aminoethoxy)-5-fluorophenyl]-(4-cyclohexyl-1,4-diazepan-1-yl)methanone
CID 154905887
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 118775958
(2-bromo-5-fluorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421295
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 107015808

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 126423261) is [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone is NCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1CCO.
What is the InChIKey of [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is NCMQZBIJJRCUEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23FN2O3/c17-12-4-5-15(22-10-7-18)14(11-12)16(21)19-8-2-1-3-13(19)6-9-20/h4-5,11,13,20H,1-3,6-10,18H2/t13-/m0/s1.
What are the key properties of [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone?
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 310.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126423261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).