2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol

C17H28N4O2 — CID 131963964

IUPAC2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol
SMILESCN(CCO)c1ccc(NC2CCN(C3CCOC3)CC2)nc1
InChIInChI=1S/C17H28N4O2/c1-20(9-10-22)15-2-3-17(18-12-15)19-14-4-7-21(8-5-14)16-6-11-23-13-16/h2-3,12,14,16,22H,4-11,13H2,1H3,(H,18,19)
InChIKeyQWBVKOJRJYALAB-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.18
Rot. Bonds6

About 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol

2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol (PubChem CID 131963964) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol
PubChem CID131963964
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol
SMILESCN(CCO)c1ccc(NC2CCN(C3CCOC3)CC2)nc1
InChIInChI=1S/C17H28N4O2/c1-20(9-10-22)15-2-3-17(18-12-15)19-14-4-7-21(8-5-14)16-6-11-23-13-16/h2-3,12,14,16,22H,4-11,13H2,1H3,(H,18,19)
InChIKeyQWBVKOJRJYALAB-UHFFFAOYSA-N
XLogP1.18
TPSA60.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol?
The IUPAC name of 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol (CID 131963964) is 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol is CN(CCO)c1ccc(NC2CCN(C3CCOC3)CC2)nc1.
What is the InChIKey of 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol?
The InChIKey is QWBVKOJRJYALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(9-10-22)15-2-3-17(18-12-15)19-14-4-7-21(8-5-14)16-6-11-23-13-16/h2-3,12,14,16,22H,4-11,13H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol?
2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol has a molecular weight of 320.44 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[6-[[1-(oxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]amino]ethanol is sourced from PubChem (CID 131963964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).