1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid

C17H19ClN2O2 — CID 121305931

IUPAC1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CN(c2ccc3cccc(Cl)c3n2)CCC1C(=O)O
InChIInChI=1S/C17H19ClN2O2/c1-17(2)10-20(9-8-12(17)16(21)22)14-7-6-11-4-3-5-13(18)15(11)19-14/h3-7,12H,8-10H2,1-2H3,(H,21,22)
InChIKeyIFYABOSWRCQEIT-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.83
Rot. Bonds2

About 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid

1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid (PubChem CID 121305931) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid
PubChem CID121305931
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CN(c2ccc3cccc(Cl)c3n2)CCC1C(=O)O
InChIInChI=1S/C17H19ClN2O2/c1-17(2)10-20(9-8-12(17)16(21)22)14-7-6-11-4-3-5-13(18)15(11)19-14/h3-7,12H,8-10H2,1-2H3,(H,21,22)
InChIKeyIFYABOSWRCQEIT-UHFFFAOYSA-N
XLogP3.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
CID 121313882
1-[8-(3-Chlorophenyl)-1,7-naphthyridin-6-yl]piperidine-4-carboxylic acid
CID 10451631
(4R)-1-(8-chloroquinolin-2-yl)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethylpiperidine-4-carboxamide
CID 134146838
4-(2-Methoxyethyl)-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
CID 56874034
4-Hydroxy-1-(4-methylquinolin-2-yl)piperidine-4-carboxylic acid
CID 56878185
1-(8-Chloroquinolin-2-yl)-4-hydroxypiperidine-4-carboxylic acid
CID 56916819
8-(8-Chloroquinolin-2-YL)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72859866
Ethyl 1-[6-(3-chloro-4-fluoro-phenyl)-2-quinolyl]piperidine-4-carboxylate
CID 156537994
Ethyl 1-[6-(4-chloro-3-fluoro-phenyl)-2-quinolyl]piperidine-4-carboxylate
CID 156558514
Methyl 1-(4-methyl-8-propan-2-ylquinolin-2-yl)piperidine-4-carboxylate
CID 8026770
1-[3-[(4-Methylquinolin-2-yl)amino]propyl]piperidine-4-carboxylic acid
CID 139014163
2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol
CID 164634251

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid (CID 121305931) is 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid is CC1(C)CN(c2ccc3cccc(Cl)c3n2)CCC1C(=O)O.
What is the InChIKey of 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
The InChIKey is IFYABOSWRCQEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-17(2)10-20(9-8-12(17)16(21)22)14-7-6-11-4-3-5-13(18)15(11)19-14/h3-7,12H,8-10H2,1-2H3,(H,21,22).
What are the key properties of 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid has a molecular weight of 318.80 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-2-yl)-3,3-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 121305931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).