2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid

C17H20N2O2 — CID 61010277

IUPAC2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C17H20N2O2/c20-17(21)11-15-5-1-2-9-19(15)12-13-6-7-16-14(10-13)4-3-8-18-16/h3-4,6-8,10,15H,1-2,5,9,11-12H2,(H,20,21)
InChIKeyZPRZXRAGJFXTJZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.06
Rot. Bonds4

About 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid

2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid (PubChem CID 61010277) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
PubChem CID61010277
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1ccc2ncccc2c1
InChIInChI=1S/C17H20N2O2/c20-17(21)11-15-5-1-2-9-19(15)12-13-6-7-16-14(10-13)4-3-8-18-16/h3-4,6-8,10,15H,1-2,5,9,11-12H2,(H,20,21)
InChIKeyZPRZXRAGJFXTJZ-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-(bromomethyl)piperidin-1-yl]methyl]quinoline
CID 80673665
[1-(quinolin-6-ylmethyl)piperidin-2-yl]methanamine
CID 43209671
3-[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]propan-1-ol
CID 62469231
N'-hydroxy-1-(quinolin-6-ylmethyl)piperidine-2-carboximidamide
CID 77036050
N-[[1-(quinolin-6-ylmethyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581089
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
N'-hydroxy-1-(quinolin-6-ylmethyl)pyrrolidine-2-carboximidamide
CID 77036107
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899816
2-[1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61371323
2-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 83240966
(2R,3S)-2-methyl-4-(quinolin-6-ylmethyl)morpholine-3-carboxylic acid
CID 167968895
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605

Frequently Asked Questions

What is the IUPAC name of 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid (CID 61010277) is 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1Cc1ccc2ncccc2c1.
What is the InChIKey of 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid?
The InChIKey is ZPRZXRAGJFXTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(21)11-15-5-1-2-9-19(15)12-13-6-7-16-14(10-13)4-3-8-18-16/h3-4,6-8,10,15H,1-2,5,9,11-12H2,(H,20,21).
What are the key properties of 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid?
2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(quinolin-6-ylmethyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61010277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).