4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid

C16H19N3O2 — CID 118666820

IUPAC4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H19N3O2/c20-16(21)19-10-8-18(9-11-19)7-5-13-3-4-15-14(12-13)2-1-6-17-15/h1-4,6,12H,5,7-11H2,(H,20,21)
InChIKeyPKLLNMCQTLGHPY-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.07
Rot. Bonds3

About 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid

4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid (PubChem CID 118666820) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
PubChem CID118666820
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(CCc2ccc3ncccc3c2)CC1
InChIInChI=1S/C16H19N3O2/c20-16(21)19-10-8-18(9-11-19)7-5-13-3-4-15-14(12-13)2-1-6-17-15/h1-4,6,12H,5,7-11H2,(H,20,21)
InChIKeyPKLLNMCQTLGHPY-UHFFFAOYSA-N
XLogP2.07
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]piperazine-1-carboxylic acid
CID 67517173
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
5-oxo-1-(2-quinolin-6-ylethyl)pyrrolidine-3-carboxylic acid
CID 168691392
4-[2-(4-phenylphenyl)ethyl]piperazine-1-carboxylic acid
CID 69459100
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
CID 45272100
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 21356519
(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 54018599
N-[3-(2-pyrrolidin-1-ylethyl)phenyl]quinolin-6-amine
CID 174695439
4-hydroxy-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168702962
4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
CID 72885784
4-[2-[3-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylic acid
CID 67357875

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid (CID 118666820) is 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(CCc2ccc3ncccc3c2)CC1.
What is the InChIKey of 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid?
The InChIKey is PKLLNMCQTLGHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)19-10-8-18(9-11-19)7-5-13-3-4-15-14(12-13)2-1-6-17-15/h1-4,6,12H,5,7-11H2,(H,20,21).
What are the key properties of 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid?
4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 118666820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).