2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol

C16H28N4O2 — CID 111543569

IUPAC2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
SMILESCc1cc(N2CCC(N(C)CCOCCO)CC2)nc(C)n1
InChIInChI=1S/C16H28N4O2/c1-13-12-16(18-14(2)17-13)20-6-4-15(5-7-20)19(3)8-10-22-11-9-21/h12,15,21H,4-11H2,1-3H3
InChIKeyXQVDRDZFCZFUIS-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.00
Rot. Bonds7

About 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol

2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol (PubChem CID 111543569) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
PubChem CID111543569
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
SMILESCc1cc(N2CCC(N(C)CCOCCO)CC2)nc(C)n1
InChIInChI=1S/C16H28N4O2/c1-13-12-16(18-14(2)17-13)20-6-4-15(5-7-20)19(3)8-10-22-11-9-21/h12,15,21H,4-11H2,1-3H3
InChIKeyXQVDRDZFCZFUIS-UHFFFAOYSA-N
XLogP1.00
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
CID 133315366
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol
CID 145234391
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
CID 97004691
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 71863166
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 138988774
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 86805479
3-[[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylpropan-1-ol
CID 72857742
2-[4-(2-hydroxyethoxy)piperidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 114766521
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol (CID 111543569) is 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol is Cc1cc(N2CCC(N(C)CCOCCO)CC2)nc(C)n1.
What is the InChIKey of 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol?
The InChIKey is XQVDRDZFCZFUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13-12-16(18-14(2)17-13)20-6-4-15(5-7-20)19(3)8-10-22-11-9-21/h12,15,21H,4-11H2,1-3H3.
What are the key properties of 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol?
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol has a molecular weight of 308.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol is sourced from PubChem (CID 111543569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).