3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid

C22H26FNO3 — CID 122101111

IUPAC3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C22H26FNO3/c23-20-8-3-19(4-9-20)16-27-21-10-5-18(6-11-21)15-24-13-1-2-17(14-24)7-12-22(25)26/h3-6,8-11,17H,1-2,7,12-16H2,(H,25,26)
InChIKeyJZEFAUVSIDYFFE-UHFFFAOYSA-N
MW371.45 g/mol
LogP4.48
Rot. Bonds8

About 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid

3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid (PubChem CID 122101111) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid
PubChem CID122101111
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Name3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1CCCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1
InChIInChI=1S/C22H26FNO3/c23-20-8-3-19(4-9-20)16-27-21-10-5-18(6-11-21)15-24-13-1-2-17(14-24)7-12-22(25)26/h3-6,8-11,17H,1-2,7,12-16H2,(H,25,26)
InChIKeyJZEFAUVSIDYFFE-UHFFFAOYSA-N
XLogP4.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-yl]propanoic acid
CID 81155931
3-[(3S)-1-[3-(4-fluorophenoxy)propanoyl]piperidin-3-yl]propanoic acid
CID 129415349
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
(4-fluorophenyl)methyl (3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxylate
CID 95731939
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
4-[[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]methoxy]benzoic acid
CID 22116078
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464
2-[4-[[(3S)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]methyl]phenoxy]acetamide
CID 95486417
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid (CID 122101111) is 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid is O=C(O)CCC1CCCN(Cc2ccc(OCc3ccc(F)cc3)cc2)C1.
What is the InChIKey of 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid?
The InChIKey is JZEFAUVSIDYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO3/c23-20-8-3-19(4-9-20)16-27-21-10-5-18(6-11-21)15-24-13-1-2-17(14-24)7-12-22(25)26/h3-6,8-11,17H,1-2,7,12-16H2,(H,25,26).
What are the key properties of 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid?
3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid has a molecular weight of 371.45 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 122101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).