3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid

C15H19F2NO2 — CID 62215995

IUPAC3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO2/c16-12-4-6-14(17)11(9-12)10-18-8-2-1-3-13(18)5-7-15(19)20/h4,6,9,13H,1-3,5,7-8,10H2,(H,19,20)
InChIKeyGHTNNJLDARMJFT-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.18
Rot. Bonds5

About 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid

3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid (PubChem CID 62215995) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
PubChem CID62215995
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1Cc1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO2/c16-12-4-6-14(17)11(9-12)10-18-8-2-1-3-13(18)5-7-15(19)20/h4,6,9,13H,1-3,5,7-8,10H2,(H,19,20)
InChIKeyGHTNNJLDARMJFT-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-2-yl]propanoic acid
CID 105372416
1-[1-[(2,5-difluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 79559683
3-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62217691
1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 3500116
1-[(2,5-difluorophenyl)methyl]azepane-2-carboxylic acid
CID 64563952
3-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 104792731
3-amino-N-[[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120581300
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
CID 103049964
2-[1-[(5-fluoro-2-hydroxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 107701806
ethyl (2R)-1-[(2,5-difluorophenyl)methyl]piperidine-2-carboxylate
CID 6938215

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid (CID 62215995) is 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1Cc1cc(F)ccc1F.
What is the InChIKey of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid?
The InChIKey is GHTNNJLDARMJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-4-6-14(17)11(9-12)10-18-8-2-1-3-13(18)5-7-15(19)20/h4,6,9,13H,1-3,5,7-8,10H2,(H,19,20).
What are the key properties of 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid?
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid has a molecular weight of 283.32 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).