4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid

C14H22N2O3 — CID 103260585

IUPAC4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C14H22N2O3/c1-9-6-12(4-5-16(9)3)15-8-11-7-13(14(17)18)19-10(11)2/h7,9,12,15H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyVBRMIJAEKBLJQM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.86
Rot. Bonds4

About 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid

4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 103260585) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID103260585
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1CNC1CCN(C)C(C)C1
InChIInChI=1S/C14H22N2O3/c1-9-6-12(4-5-16(9)3)15-8-11-7-13(14(17)18)19-10(11)2/h7,9,12,15H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyVBRMIJAEKBLJQM-UHFFFAOYSA-N
XLogP1.86
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 103245559
5-methyl-4-[(oxolan-3-ylamino)methyl]furan-2-carboxylic acid
CID 103258417
N-[(2,5-dimethylthiophen-3-yl)methyl]-1,2-dimethylpiperidin-4-amine
CID 80711280
5-methyl-4-[[(2-propan-2-ylcyclohexyl)amino]methyl]furan-2-carboxylic acid
CID 103261996
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
1,2-dimethyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 79032126
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 79032189
4-chloro-2-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]phenol
CID 79032255
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-5-methylfuran-2-carboxylic acid
CID 103246654
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 79032302
4-[[(4-hydroxycyclohexyl)methylamino]methyl]-5-methylfuran-2-carboxylic acid
CID 106137095
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-5-methylfuran-2-carboxylic acid
CID 103260002

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid (CID 103260585) is 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1CNC1CCN(C)C(C)C1.
What is the InChIKey of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is VBRMIJAEKBLJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-6-12(4-5-16(9)3)15-8-11-7-13(14(17)18)19-10(11)2/h7,9,12,15H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid?
4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,2-dimethylpiperidin-4-yl)amino]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 103260585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).