2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid

C14H17F2NO2 — CID 79606347

IUPAC2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H17F2NO2/c15-12-3-1-2-11(14(12)16)9-17-6-4-10(5-7-17)8-13(18)19/h1-3,10H,4-9H2,(H,18,19)
InChIKeyARBRNLVQEVUQEC-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid

2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79606347) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID79606347
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C14H17F2NO2/c15-12-3-1-2-11(14(12)16)9-17-6-4-10(5-7-17)8-13(18)19/h1-3,10H,4-9H2,(H,18,19)
InChIKeyARBRNLVQEVUQEC-UHFFFAOYSA-N
XLogP2.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928256
N-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 62592212
2-[1-[(3-cyano-2-fluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 107118829
2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79983220
1-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922702
2-[1-[(2-carbamoylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606723
4-[[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]methyl]morpholine
CID 51086748
2-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]acetic acid
CID 79608348
1-[(2,3-difluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 54923675
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(2,3-difluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124386

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid (CID 79606347) is 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is ARBRNLVQEVUQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-3-1-2-11(14(12)16)9-17-6-4-10(5-7-17)8-13(18)19/h1-3,10H,4-9H2,(H,18,19).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 269.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79606347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).