1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol

C13H22N2O2 — CID 81097156

IUPAC1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
SMILESCc1ccc(C(CN)N2CCC(C)(O)CC2)o1
InChIInChI=1S/C13H22N2O2/c1-10-3-4-12(17-10)11(9-14)15-7-5-13(2,16)6-8-15/h3-4,11,16H,5-9,14H2,1-2H3
InChIKeyDWINYVRRGBDQSB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.43
Rot. Bonds3

About 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol

1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol (PubChem CID 81097156) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
PubChem CID81097156
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol
SMILESCc1ccc(C(CN)N2CCC(C)(O)CC2)o1
InChIInChI=1S/C13H22N2O2/c1-10-3-4-12(17-10)11(9-14)15-7-5-13(2,16)6-8-15/h3-4,11,16H,5-9,14H2,1-2H3
InChIKeyDWINYVRRGBDQSB-UHFFFAOYSA-N
XLogP1.43
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Cyclobutene-1,2-dione, 3-(methylamino)-4-((2-(((5-(1-piperidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)-
CID 3077650
N-[2-(furan-2-yl)-2-(morpholin-4-yl)ethyl]-4-methylbenzamide
CID 16453204
2-(5-Methylfuran-2-yl)piperidine
CID 17389585
1-(2-Furyl)-N1,N1-dimethyl-1,2-ethanediamine
CID 3754087
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-(4-methylbenzyl)oxalamide
CID 12006013
N1-(2-(furan-2-yl)-2-morpholinoethyl)-N2-phenethyloxalamide
CID 16194875
2-{1-[(5-methyl-2-furyl)methyl]-4-[(2E)-2-methyl-3-phenyl-2-propen-1-yl]-2-piperazinyl}ethanol
CID 16189931
N-(2-(furan-2-yl)-2-morpholinoethyl)cyclohexanecarboxamide
CID 16809733
N-[2-(furan-2-yl)-2-(morpholin-4-yl)ethyl]benzamide
CID 16809751
2-(Furan-2-yl)-2-(piperidin-1-yl)ethan-1-amine
CID 3338092
N1-benzyl-N2-(2-(furan-2-yl)-2-morpholinoethyl)oxalamide
CID 12005984
{1-[(5-Methyl-2-furyl)methyl]-3-oxo-2-piperazinyl}acetic acid
CID 2997285

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol (CID 81097156) is 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol is Cc1ccc(C(CN)N2CCC(C)(O)CC2)o1.
What is the InChIKey of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol?
The InChIKey is DWINYVRRGBDQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10-3-4-12(17-10)11(9-14)15-7-5-13(2,16)6-8-15/h3-4,11,16H,5-9,14H2,1-2H3.
What are the key properties of 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol?
1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol has a molecular weight of 238.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(5-methylfuran-2-yl)ethyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).