2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid

C14H17F2NO2 — CID 65060111

IUPAC2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H17F2NO2/c15-12-4-1-5-13(16)11(12)9-17-6-2-3-10(8-17)7-14(18)19/h1,4-5,10H,2-3,6-9H2,(H,18,19)
InChIKeyQIRDGQXARZQRHV-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid

2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid (PubChem CID 65060111) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
PubChem CID65060111
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2c(F)cccc2F)C1
InChIInChI=1S/C14H17F2NO2/c15-12-4-1-5-13(16)11(12)9-17-6-2-3-10(8-17)7-14(18)19/h1,4-5,10H,2-3,6-9H2,(H,18,19)
InChIKeyQIRDGQXARZQRHV-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

[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
2-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813917
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 79702644
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetamide
CID 119884012
2-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-yl]acetic acid
CID 65059942
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 114075996
2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]acetic acid
CID 62689776
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid (CID 65060111) is 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(Cc2c(F)cccc2F)C1.
What is the InChIKey of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid?
The InChIKey is QIRDGQXARZQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-4-1-5-13(16)11(12)9-17-6-2-3-10(8-17)7-14(18)19/h1,4-5,10H,2-3,6-9H2,(H,18,19).
What are the key properties of 2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid?
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-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-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 65060111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).