5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid

C12H17NO4 — CID 65472829

IUPAC5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
SMILESCN1CCCCC1COc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO4/c1-13-7-3-2-4-9(13)8-16-11-6-5-10(17-11)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyCIDOFLFVLLPMMX-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.84
Rot. Bonds4

About 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid

5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid (PubChem CID 65472829) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
PubChem CID65472829
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid
SMILESCN1CCCCC1COc1ccc(C(=O)O)o1
InChIInChI=1S/C12H17NO4/c1-13-7-3-2-4-9(13)8-16-11-6-5-10(17-11)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15)
InChIKeyCIDOFLFVLLPMMX-UHFFFAOYSA-N
XLogP1.84
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 81225049
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
3-fluoro-4-[(1-methylpiperidin-2-yl)methoxy]benzoic acid
CID 65469618
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-carboxylic acid
CID 65471120
3-[(1-methylpiperidin-2-yl)methoxy]pyrazine-2-carboxylic acid
CID 65469620
2-[(1-methylpiperidin-2-yl)methoxy]pyrimidine-4-carboxylic acid
CID 107554961
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
1-methyl-2-[(4-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 70065805
2-[[(2R)-1-methylpiperidin-2-yl]methoxy]acetic acid
CID 92669710
5-(3-methoxypropoxy)furan-2-carboxylic acid
CID 62206697
1,3-dimethyl-5-[(1-methylpiperidin-2-yl)methoxy]pyrazole-4-carboxylic acid
CID 65467124
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]furan-2-carboxylic acid
CID 104560434

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid?
The IUPAC name of 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid (CID 65472829) is 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid?
The canonical SMILES for 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid is CN1CCCCC1COc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid?
The InChIKey is CIDOFLFVLLPMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-13-7-3-2-4-9(13)8-16-11-6-5-10(17-11)12(14)15/h5-6,9H,2-4,7-8H2,1H3,(H,14,15).
What are the key properties of 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid?
5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylpiperidin-2-yl)methoxy]furan-2-carboxylic acid is sourced from PubChem (CID 65472829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).