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

C14H17F2NO2 — CID 174722897

IUPAC2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-9(7-13(12)16)5-11-6-10(3-4-17-11)8-14(18)19/h1-2,7,10-11,17H,3-6,8H2,(H,18,19)
InChIKeyXBOQQFVHMMKZEU-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.35
Rot. Bonds4

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

2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 174722897) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID174722897
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCNC(Cc2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-9(7-13(12)16)5-11-6-10(3-4-17-11)8-14(18)19/h1-2,7,10-11,17H,3-6,8H2,(H,18,19)
InChIKeyXBOQQFVHMMKZEU-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid (CID 174722897) is 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCNC(Cc2ccc(F)c(F)c2)C1.
What is the InChIKey of 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is XBOQQFVHMMKZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-2-1-9(7-13(12)16)5-11-6-10(3-4-17-11)8-14(18)19/h1-2,7,10-11,17H,3-6,8H2,(H,18,19).
What are the key properties of 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid?
2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 269.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-difluorophenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 174722897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).