1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol

C20H24FNO3 — CID 141041914

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FNO3/c21-16-6-8-19(9-7-16)25-20-10-12-22(13-11-20)14-17(23)15-24-18-4-2-1-3-5-18/h1-9,17,20,23H,10-15H2
InChIKeyORUSVXYFYPSHSM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.11
Rot. Bonds7

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 141041914) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID141041914
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FNO3/c21-16-6-8-19(9-7-16)25-20-10-12-22(13-11-20)14-17(23)15-24-18-4-2-1-3-5-18/h1-9,17,20,23H,10-15H2
InChIKeyORUSVXYFYPSHSM-UHFFFAOYSA-N
XLogP3.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041912
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041922
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633
methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790
(2R)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]-3-[4-(4-fluorophenoxy)piperidin-1-yl]propan-2-ol
CID 138696420
1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 24732926
methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate
CID 10296402
1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041982
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
[4-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 31591068
N-ethyl-N'-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425799
1-[4-[1,3-benzothiazol-2-yl(benzyl)amino]piperidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 14575854

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol (CID 141041914) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is ORUSVXYFYPSHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c21-16-6-8-19(9-7-16)25-20-10-12-22(13-11-20)14-17(23)15-24-18-4-2-1-3-5-18/h1-9,17,20,23H,10-15H2.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 345.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 141041914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).