2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid

C16H18N2O3 — CID 81108049

IUPAC2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCC1(O)CCN(c2cc(C(=O)O)c3ccccc3n2)CC1
InChIInChI=1S/C16H18N2O3/c1-16(21)6-8-18(9-7-16)14-10-12(15(19)20)11-4-2-3-5-13(11)17-14/h2-5,10,21H,6-9H2,1H3,(H,19,20)
InChIKeyIPRXWLNIHKIKOY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.28
Rot. Bonds2

About 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid

2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid (PubChem CID 81108049) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
PubChem CID81108049
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
SMILESCC1(O)CCN(c2cc(C(=O)O)c3ccccc3n2)CC1
InChIInChI=1S/C16H18N2O3/c1-16(21)6-8-18(9-7-16)14-10-12(15(19)20)11-4-2-3-5-13(11)17-14/h2-5,10,21H,6-9H2,1H3,(H,19,20)
InChIKeyIPRXWLNIHKIKOY-UHFFFAOYSA-N
XLogP2.28
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-aminoquinolin-4-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81109203
2-[1-(2-methylpropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]quinoline-4-carboxylic acid
CID 166619103
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(3-methoxypyrrolidin-1-yl)quinoline-4-carboxylic acid
CID 103534285
2-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)quinoline-4-carboxamide
CID 146041384
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]quinoline-4-carboxylic acid;formic acid
CID 163333635
2-(2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)quinoline-4-carboxamide;hydrochloride
CID 154888897
1-(3-hydroxy-3-methylpyrrolidin-1-yl)isoquinoline-4-carboxylic acid
CID 106767710
2-(2-methylimidazol-1-yl)quinoline-4-carboxylic acid
CID 43332209
[2-(4,4-dimethylazepan-1-yl)quinolin-4-yl]methanol
CID 65282785
2-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]quinoline-4-carboxylic acid
CID 97200460
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid (CID 81108049) is 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid is CC1(O)CCN(c2cc(C(=O)O)c3ccccc3n2)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
The InChIKey is IPRXWLNIHKIKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(21)6-8-18(9-7-16)14-10-12(15(19)20)11-4-2-3-5-13(11)17-14/h2-5,10,21H,6-9H2,1H3,(H,19,20).
What are the key properties of 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid?
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 81108049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).