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

C20H23F2NO3 — CID 141041912

IUPAC1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H23F2NO3/c21-19-7-6-18(12-20(19)22)26-17-8-10-23(11-9-17)13-15(24)14-25-16-4-2-1-3-5-16/h1-7,12,15,17,24H,8-11,13-14H2
InChIKeyKWCJXNCMBBXFLX-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.25
Rot. Bonds7

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

1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 141041912) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID141041912
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESOC(COc1ccccc1)CN1CCC(Oc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C20H23F2NO3/c21-19-7-6-18(12-20(19)22)26-17-8-10-23(11-9-17)13-15(24)14-25-16-4-2-1-3-5-16/h1-7,12,15,17,24H,8-11,13-14H2
InChIKeyKWCJXNCMBBXFLX-UHFFFAOYSA-N
XLogP3.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041922
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093
1-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 141041950
1-[4-[4-[6-(dimethylamino)-3-pyridinyl]phenoxy]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 24732926
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
1-[4-(naphthalen-2-ylamino)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 70076254
1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041982
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633
1-[[1-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]-3H-isoquinolin-4-one
CID 58188858
4-[1-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]-2H-phthalazin-1-one
CID 11676015
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol (CID 141041912) is 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol is OC(COc1ccccc1)CN1CCC(Oc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is KWCJXNCMBBXFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c21-19-7-6-18(12-20(19)22)26-17-8-10-23(11-9-17)13-15(24)14-25-16-4-2-1-3-5-16/h1-7,12,15,17,24H,8-11,13-14H2.
What are the key properties of 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 363.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-difluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 141041912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).