2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol

C16H25FN2O2 — CID 83974799

IUPAC2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
SMILESCOc1ccc(F)cc1C(CN)C1CCN(CCO)CC1
InChIInChI=1S/C16H25FN2O2/c1-21-16-3-2-13(17)10-14(16)15(11-18)12-4-6-19(7-5-12)8-9-20/h2-3,10,12,15,20H,4-9,11,18H2,1H3
InChIKeyYFNOKYDGNFUFLS-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.58
Rot. Bonds6

About 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol

2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol (PubChem CID 83974799) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
PubChem CID83974799
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol
SMILESCOc1ccc(F)cc1C(CN)C1CCN(CCO)CC1
InChIInChI=1S/C16H25FN2O2/c1-21-16-3-2-13(17)10-14(16)15(11-18)12-4-6-19(7-5-12)8-9-20/h2-3,10,12,15,20H,4-9,11,18H2,1H3
InChIKeyYFNOKYDGNFUFLS-UHFFFAOYSA-N
XLogP1.58
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-amino-1-(5-chloro-2-ethoxyphenyl)ethyl]piperidin-1-yl]ethanol
CID 83974682
2-(5-fluoro-2-methoxyphenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83987062
2-(2-ethoxy-5-fluorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 83974722
2-(5-fluoro-2-methoxyphenyl)-2-(2-methylcyclohexyl)ethanamine
CID 83974794
2-(1-ethylpiperidin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 83973600
(5-fluoro-2-methoxyphenyl)-(1-methylpyrrolidin-3-yl)methanamine
CID 83824626
3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
CID 112508407
2-(2,4-dimethoxyphenyl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83973119
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212
2-cyclohexyl-2-(2,4-difluorophenyl)ethanamine
CID 80502991
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol (CID 83974799) is 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol is COc1ccc(F)cc1C(CN)C1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol?
The InChIKey is YFNOKYDGNFUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-21-16-3-2-13(17)10-14(16)15(11-18)12-4-6-19(7-5-12)8-9-20/h2-3,10,12,15,20H,4-9,11,18H2,1H3.
What are the key properties of 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol?
2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol has a molecular weight of 296.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-1-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 83974799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).