2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid

C18H27NO2 — CID 65063084

IUPAC2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
SMILESCCCc1ccc(C(C)N2CCCCC2CC(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-3-6-15-8-10-16(11-9-15)14(2)19-12-5-4-7-17(19)13-18(20)21/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyKTFQLHMFFZEDRT-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.03
Rot. Bonds6

About 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid

2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid (PubChem CID 65063084) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
PubChem CID65063084
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid
SMILESCCCc1ccc(C(C)N2CCCCC2CC(=O)O)cc1
InChIInChI=1S/C18H27NO2/c1-3-6-15-8-10-16(11-9-15)14(2)19-12-5-4-7-17(19)13-18(20)21/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,20,21)
InChIKeyKTFQLHMFFZEDRT-UHFFFAOYSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid (CID 65063084) is 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid is CCCc1ccc(C(C)N2CCCCC2CC(=O)O)cc1.
What is the InChIKey of 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid?
The InChIKey is KTFQLHMFFZEDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-6-15-8-10-16(11-9-15)14(2)19-12-5-4-7-17(19)13-18(20)21/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid?
2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid has a molecular weight of 289.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-propylphenyl)ethyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 65063084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).