4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid

C15H17N3O3 — CID 64622897

IUPAC4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1N1CCCC(CO)C1
InChIInChI=1S/C15H17N3O3/c19-9-10-4-3-7-18(8-10)14-11-5-1-2-6-12(11)16-17-13(14)15(20)21/h1-2,5-6,10,19H,3-4,7-9H2,(H,20,21)
InChIKeyHNLMPRLPJIUWOW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.54
Rot. Bonds3

About 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid

4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid (PubChem CID 64622897) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
PubChem CID64622897
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid
SMILESO=C(O)c1nnc2ccccc2c1N1CCCC(CO)C1
InChIInChI=1S/C15H17N3O3/c19-9-10-4-3-7-18(8-10)14-11-5-1-2-6-12(11)16-17-13(14)15(20)21/h1-2,5-6,10,19H,3-4,7-9H2,(H,20,21)
InChIKeyHNLMPRLPJIUWOW-UHFFFAOYSA-N
XLogP1.54
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)pyrrolidin-1-yl]cinnoline-3-carboxylic acid
CID 64622914
4-(2-methyl-1,4-oxazepan-4-yl)cinnoline-3-carboxylic acid
CID 64622507
[1-(2,1-benzothiazol-3-yl)piperidin-3-yl]methanol
CID 62814996
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
CID 80792862
4-(3-ethylpiperidin-1-yl)quinoline-3-carboxylic acid
CID 61340983
(4-chloroquinolin-2-yl)-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 99036740
4-(2,2-dimethylpyrrolidin-1-yl)cinnoline-3-carboxylic acid
CID 64622919
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]benzoic acid
CID 94373344
2-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43403358
2-[1-[3-(aminomethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107227097

Frequently Asked Questions

What is the IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid?
The IUPAC name of 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid (CID 64622897) is 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid.
What is the SMILES notation for 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid?
The canonical SMILES for 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid is O=C(O)c1nnc2ccccc2c1N1CCCC(CO)C1.
What is the InChIKey of 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid?
The InChIKey is HNLMPRLPJIUWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-9-10-4-3-7-18(8-10)14-11-5-1-2-6-12(11)16-17-13(14)15(20)21/h1-2,5-6,10,19H,3-4,7-9H2,(H,20,21).
What are the key properties of 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid?
4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)piperidin-1-yl]cinnoline-3-carboxylic acid is sourced from PubChem (CID 64622897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).