5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid

C13H19NO3 — CID 55054227

IUPAC5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCC1CCCN(Cc2cc(C(=O)O)co2)C1C
InChIInChI=1S/C13H19NO3/c1-9-4-3-5-14(10(9)2)7-12-6-11(8-17-12)13(15)16/h6,8-10H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyCCMZHXYVTVEYBL-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.60
Rot. Bonds3

About 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid

5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid (PubChem CID 55054227) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
PubChem CID55054227
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
SMILESCC1CCCN(Cc2cc(C(=O)O)co2)C1C
InChIInChI=1S/C13H19NO3/c1-9-4-3-5-14(10(9)2)7-12-6-11(8-17-12)13(15)16/h6,8-10H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyCCMZHXYVTVEYBL-UHFFFAOYSA-N
XLogP2.60
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62412124
5-[(2,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 62124826
5-[(2-methylpyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63570944
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
5-[(3,4-dimethylpiperazin-1-yl)methyl]furan-3-carboxylic acid
CID 63608514
3-[(2,3-dimethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 63067272
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62412126
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
3-[3-(2,3-dimethylpiperidin-1-yl)propoxy]benzoic acid
CID 63067439
5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carbohydrazide
CID 63584588
4-[(2,3-dimethylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80727249
(E)-3-[5-[(2,3-dimethylpiperidin-1-yl)methyl]thiophen-3-yl]prop-2-enoic acid
CID 62123422

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid (CID 55054227) is 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid is CC1CCCN(Cc2cc(C(=O)O)co2)C1C.
What is the InChIKey of 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
The InChIKey is CCMZHXYVTVEYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-4-3-5-14(10(9)2)7-12-6-11(8-17-12)13(15)16/h6,8-10H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid?
5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 55054227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).