1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol

C17H30N2O3 — CID 4827599

IUPAC1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1(C)CC(NCC(O)COCc2ccco2)CC(C)(C)N1
InChIInChI=1S/C17H30N2O3/c1-16(2)8-13(9-17(3,4)19-16)18-10-14(20)11-21-12-15-6-5-7-22-15/h5-7,13-14,18-20H,8-12H2,1-4H3
InChIKeyLKSBPRBTIMUPEO-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.06
Rot. Bonds7

About 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 4827599) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
PubChem CID4827599
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol
SMILESCC1(C)CC(NCC(O)COCc2ccco2)CC(C)(C)N1
InChIInChI=1S/C17H30N2O3/c1-16(2)8-13(9-17(3,4)19-16)18-10-14(20)11-21-12-15-6-5-7-22-15/h5-7,13-14,18-20H,8-12H2,1-4H3
InChIKeyLKSBPRBTIMUPEO-UHFFFAOYSA-N
XLogP2.06
TPSA66.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol (CID 4827599) is 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol is CC1(C)CC(NCC(O)COCc2ccco2)CC(C)(C)N1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is LKSBPRBTIMUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-16(2)8-13(9-17(3,4)19-16)18-10-14(20)11-21-12-15-6-5-7-22-15/h5-7,13-14,18-20H,8-12H2,1-4H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 310.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 4827599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).