methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate

C24H30FNO5 — CID 10296402

IUPACmethyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1OCC(O)CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FNO5/c1-29-24(28)11-6-18-4-2-3-5-23(18)30-17-20(27)16-26-14-12-22(13-15-26)31-21-9-7-19(25)8-10-21/h2-5,7-10,20,22,27H,6,11-17H2,1H3
InChIKeyYZVNDBXUNUQOLW-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.21
Rot. Bonds10

About methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate

methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate (PubChem CID 10296402) has the molecular formula C24H30FNO5 and a molecular weight of 431.50 g/mol. Its IUPAC name is methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate
PubChem CID10296402
Molecular FormulaC24H30FNO5
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Namemethyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1OCC(O)CN1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FNO5/c1-29-24(28)11-6-18-4-2-3-5-23(18)30-17-20(27)16-26-14-12-22(13-15-26)31-21-9-7-19(25)8-10-21/h2-5,7-10,20,22,27H,6,11-17H2,1H3
InChIKeyYZVNDBXUNUQOLW-UHFFFAOYSA-N
XLogP3.21
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 10135790
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 141041914
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
N-[4-fluoro-2-[3-[3-(4-fluorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10136007
2-[2-[(2R)-3-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 154072204
N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanamide
CID 10183468
(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-(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
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
CID 159443528
methyl 2-[[2-[3-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]benzoyl]amino]acetate
CID 10141592
2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
CID 22241244

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate?
The IUPAC name of methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate (CID 10296402) is methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate.
What is the SMILES notation for methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate?
The canonical SMILES for methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate is COC(=O)CCc1ccccc1OCC(O)CN1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate?
The InChIKey is YZVNDBXUNUQOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FNO5/c1-29-24(28)11-6-18-4-2-3-5-23(18)30-17-20(27)16-26-14-12-22(13-15-26)31-21-9-7-19(25)8-10-21/h2-5,7-10,20,22,27H,6,11-17H2,1H3.
What are the key properties of methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate?
methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate has a molecular weight of 431.50 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[3-[4-(4-fluorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]propanoate is sourced from PubChem (CID 10296402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).