3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid

C16H18N2O2 — CID 79425404

IUPAC3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ccccc3n2)CCCNC1
InChIInChI=1S/C16H18N2O2/c19-15(20)16(8-3-9-17-11-16)10-13-7-6-12-4-1-2-5-14(12)18-13/h1-2,4-7,17H,3,8-11H2,(H,19,20)
InChIKeyNYOPNGVLSOMZKG-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.23
Rot. Bonds3

About 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid

3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid (PubChem CID 79425404) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
PubChem CID79425404
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccc3ccccc3n2)CCCNC1
InChIInChI=1S/C16H18N2O2/c19-15(20)16(8-3-9-17-11-16)10-13-7-6-12-4-1-2-5-14(12)18-13/h1-2,4-7,17H,3,8-11H2,(H,19,20)
InChIKeyNYOPNGVLSOMZKG-UHFFFAOYSA-N
XLogP2.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(quinolin-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 79425688
1-(quinolin-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 79425020
3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 130600056
3-[(3-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132717
(3R)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 95851404
3-[(1-phenylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79425515
6-(quinolin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64845221
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479
3-(aminomethyl)piperidine-3-carboxylic acid
CID 130939829
3-benzyl-N,N-dimethylpiperidine-3-carboxamide
CID 86184563

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid (CID 79425404) is 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid is O=C(O)C1(Cc2ccc3ccccc3n2)CCCNC1.
What is the InChIKey of 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
The InChIKey is NYOPNGVLSOMZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15(20)16(8-3-9-17-11-16)10-13-7-6-12-4-1-2-5-14(12)18-13/h1-2,4-7,17H,3,8-11H2,(H,19,20).
What are the key properties of 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid?
3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-2-ylmethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 79425404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).