2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol

C15H26N2O2 — CID 111755766

IUPAC2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCc1cc(C(C)(O)CNC2CCN(C)CC2)c(C)o1
InChIInChI=1S/C15H26N2O2/c1-11-9-14(12(2)19-11)15(3,18)10-16-13-5-7-17(4)8-6-13/h9,13,16,18H,5-8,10H2,1-4H3
InChIKeyGSTAHEQINWRUIN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.79
Rot. Bonds4

About 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol

2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 111755766) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
PubChem CID111755766
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol
SMILESCc1cc(C(C)(O)CNC2CCN(C)CC2)c(C)o1
InChIInChI=1S/C15H26N2O2/c1-11-9-14(12(2)19-11)15(3,18)10-16-13-5-7-17(4)8-6-13/h9,13,16,18H,5-8,10H2,1-4H3
InChIKeyGSTAHEQINWRUIN-UHFFFAOYSA-N
XLogP1.79
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-(1-methylpiperidin-4-yl)urea
CID 111463952
(2R)-2-(2,5-dimethylfuran-3-yl)-1-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]propan-2-ol
CID 124600700
2-(2,5-dimethylfuran-3-yl)-1-[[4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexyl]amino]propan-2-ol
CID 110012312
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 119141688
2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111479112
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111479151
N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-4-piperidin-1-ylbutanamide
CID 96570436
2-methyl-1-[(1-methylazepan-4-yl)amino]propan-2-ol
CID 65102952
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(2-methylcyclopropyl)methyl]guanidine
CID 119141654
1-(azepan-1-yl)-3-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]butan-1-one
CID 84588088
(3S)-1-(azepan-1-yl)-3-[[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]butan-1-one
CID 97232737

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol (CID 111755766) is 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol is Cc1cc(C(C)(O)CNC2CCN(C)CC2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is GSTAHEQINWRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11-9-14(12(2)19-11)15(3,18)10-16-13-5-7-17(4)8-6-13/h9,13,16,18H,5-8,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol?
2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-1-[(1-methylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 111755766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).