1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol

C21H26FNO2 — CID 21396134

IUPAC1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol
SMILESCC(O)(COc1ccc(-c2ccc(F)cc2)cc1)CN1CCCCC1
InChIInChI=1S/C21H26FNO2/c1-21(24,15-23-13-3-2-4-14-23)16-25-20-11-7-18(8-12-20)17-5-9-19(22)10-6-17/h5-12,24H,2-4,13-16H2,1H3
InChIKeyJUOOVDLQRHIGGV-UHFFFAOYSA-N
MW343.44 g/mol
LogP4.11
Rot. Bonds6

About 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol

1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol (PubChem CID 21396134) has the molecular formula C21H26FNO2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol
PubChem CID21396134
Molecular FormulaC21H26FNO2
Molecular Weight343.44 g/mol
Exact Mass343.19
IUPAC Name1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol
SMILESCC(O)(COc1ccc(-c2ccc(F)cc2)cc1)CN1CCCCC1
InChIInChI=1S/C21H26FNO2/c1-21(24,15-23-13-3-2-4-14-23)16-25-20-11-7-18(8-12-20)17-5-9-19(22)10-6-17/h5-12,24H,2-4,13-16H2,1H3
InChIKeyJUOOVDLQRHIGGV-UHFFFAOYSA-N
XLogP4.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(4-nitrophenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 21396228
1-(azepan-1-yl)-3-[4-(2-iodophenyl)phenoxy]-2-methylpropan-2-ol
CID 54201611
1-[2-hydroxy-2-methyl-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propyl]piperidin-3-ol
CID 21396191
2-(4-fluorophenoxy)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 110932543
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 110932473
1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 2928612
3-(4-fluorophenoxy)-2,2-dimethylpropanoyl chloride
CID 82041206
4-[4-(2-piperidin-1-ylethoxy)phenyl]benzoic acid
CID 19085087
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
2-(4-fluorophenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 110753601
1-ethyl-2-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415199

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol (CID 21396134) is 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol is CC(O)(COc1ccc(-c2ccc(F)cc2)cc1)CN1CCCCC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol?
The InChIKey is JUOOVDLQRHIGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FNO2/c1-21(24,15-23-13-3-2-4-14-23)16-25-20-11-7-18(8-12-20)17-5-9-19(22)10-6-17/h5-12,24H,2-4,13-16H2,1H3.
What are the key properties of 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol?
1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol has a molecular weight of 343.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenoxy]-2-methyl-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 21396134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).