2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid

C17H23NO2 — CID 79983220

IUPAC2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2ccccc2C2CC2)CC1
InChIInChI=1S/C17H23NO2/c19-17(20)11-13-7-9-18(10-8-13)12-15-3-1-2-4-16(15)14-5-6-14/h1-4,13-14H,5-12H2,(H,19,20)
InChIKeyFQGXKPYGFOPGAE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.25
Rot. Bonds5

About 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid

2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid (PubChem CID 79983220) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
PubChem CID79983220
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(Cc2ccccc2C2CC2)CC1
InChIInChI=1S/C17H23NO2/c19-17(20)11-13-7-9-18(10-8-13)12-15-3-1-2-4-16(15)14-5-6-14/h1-4,13-14H,5-12H2,(H,19,20)
InChIKeyFQGXKPYGFOPGAE-UHFFFAOYSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid (CID 79983220) is 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(Cc2ccccc2C2CC2)CC1.
What is the InChIKey of 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is FQGXKPYGFOPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20)11-13-7-9-18(10-8-13)12-15-3-1-2-4-16(15)14-5-6-14/h1-4,13-14H,5-12H2,(H,19,20).
What are the key properties of 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid?
2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 273.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79983220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).