4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid

C16H18N2O3 — CID 66978033

IUPAC4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nccc(N3CCC(CO)CC3)c2c1
InChIInChI=1S/C16H18N2O3/c19-10-11-4-7-18(8-5-11)15-3-6-17-14-2-1-12(16(20)21)9-13(14)15/h1-3,6,9,11,19H,4-5,7-8,10H2,(H,20,21)
InChIKeyQIMFNQXTMTZHHW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.14
Rot. Bonds3

About 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid

4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid (PubChem CID 66978033) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
PubChem CID66978033
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2nccc(N3CCC(CO)CC3)c2c1
InChIInChI=1S/C16H18N2O3/c19-10-11-4-7-18(8-5-11)15-3-6-17-14-2-1-12(16(20)21)9-13(14)15/h1-3,6,9,11,19H,4-5,7-8,10H2,(H,20,21)
InChIKeyQIMFNQXTMTZHHW-UHFFFAOYSA-N
XLogP2.14
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid?
The IUPAC name of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid (CID 66978033) is 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid.
What is the SMILES notation for 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid?
The canonical SMILES for 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid is O=C(O)c1ccc2nccc(N3CCC(CO)CC3)c2c1.
What is the InChIKey of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid?
The InChIKey is QIMFNQXTMTZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-10-11-4-7-18(8-5-11)15-3-6-17-14-2-1-12(16(20)21)9-13(14)15/h1-3,6,9,11,19H,4-5,7-8,10H2,(H,20,21).
What are the key properties of 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid?
4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)piperidin-1-yl]quinoline-6-carboxylic acid is sourced from PubChem (CID 66978033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).