4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid

C13H20N2O3 — CID 117011999

IUPAC4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
SMILESCN(C)C1(C(=O)O)CCN(Cc2ccco2)CC1
InChIInChI=1S/C13H20N2O3/c1-14(2)13(12(16)17)5-7-15(8-6-13)10-11-4-3-9-18-11/h3-4,9H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyRADNRXZTJINTEJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds4

About 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid

4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 117011999) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
PubChem CID117011999
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid
SMILESCN(C)C1(C(=O)O)CCN(Cc2ccco2)CC1
InChIInChI=1S/C13H20N2O3/c1-14(2)13(12(16)17)5-7-15(8-6-13)10-11-4-3-9-18-11/h3-4,9H,5-8,10H2,1-2H3,(H,16,17)
InChIKeyRADNRXZTJINTEJ-UHFFFAOYSA-N
XLogP1.26
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(furan-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 107321382
[4-amino-1-(furan-2-ylmethyl)piperidin-4-yl]methanol
CID 117012092
3-[4-(furan-2-ylmethyl)piperazin-1-yl]oxolane-3-carboxylic acid
CID 154796437
1-(furan-2-ylmethyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874103
3-amino-1-(furan-2-ylmethyl)piperidine-3-carboxylic acid
CID 117011822
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
9-(furan-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 118746910
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
1-(furan-2-ylmethyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 126476688
3-[9-(furan-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131648359
4-ethyl-9-(furan-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 155825272
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid (CID 117011999) is 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid is CN(C)C1(C(=O)O)CCN(Cc2ccco2)CC1.
What is the InChIKey of 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is RADNRXZTJINTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14(2)13(12(16)17)5-7-15(8-6-13)10-11-4-3-9-18-11/h3-4,9H,5-8,10H2,1-2H3,(H,16,17).
What are the key properties of 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid?
4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(furan-2-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).