(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol

C19H23FN2O3 — CID 51596565

IUPAC(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
SMILESCOc1ccc(F)cc1[C@H](O)CN1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H23FN2O3/c1-24-19-5-4-14(20)11-17(19)18(23)13-22-9-6-15(7-10-22)25-16-3-2-8-21-12-16/h2-5,8,11-12,15,18,23H,6-7,9-10,13H2,1H3/t18-/m1/s1
InChIKeyHRCRKOJFKJLCFC-GOSISDBHSA-N
MW346.40 g/mol
LogP2.81
Rot. Bonds6

About (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol

(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol (PubChem CID 51596565) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
PubChem CID51596565
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol
SMILESCOc1ccc(F)cc1[C@H](O)CN1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C19H23FN2O3/c1-24-19-5-4-14(20)11-17(19)18(23)13-22-9-6-15(7-10-22)25-16-3-2-8-21-12-16/h2-5,8,11-12,15,18,23H,6-7,9-10,13H2,1H3/t18-/m1/s1
InChIKeyHRCRKOJFKJLCFC-GOSISDBHSA-N
XLogP2.81
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-[(R)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777738
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-[(2S)-2-amino-3-phenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 20744808
3-[(2S)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]phenol
CID 23646972
(2S)-1-(benzyloxy)-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propan-2-amine
CID 10309109
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
5-(Benzyloxy)-3,3'-bipyridine
CID 42628229
4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777743
4-[3-[4-[(S)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777745
(3S)-3-{4-[(4-fluoropiperidin-1-yl)methyl]phenyl}-2,3-dihydro[1,4]dioxino[2,3-b]pyridine
CID 66547961

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
The IUPAC name of (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol (CID 51596565) is (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
The canonical SMILES for (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol is COc1ccc(F)cc1[C@H](O)CN1CCC(Oc2cccnc2)CC1.
What is the InChIKey of (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
The InChIKey is HRCRKOJFKJLCFC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-24-19-5-4-14(20)11-17(19)18(23)13-22-9-6-15(7-10-22)25-16-3-2-8-21-12-16/h2-5,8,11-12,15,18,23H,6-7,9-10,13H2,1H3/t18-/m1/s1.
What are the key properties of (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol?
(1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol has a molecular weight of 346.40 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-fluoro-2-methoxyphenyl)-2-(4-pyridin-3-yloxypiperidin-1-yl)ethanol is sourced from PubChem (CID 51596565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).