2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol

C14H24N4O2 — CID 56778037

IUPAC2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCOc1ccnc(N(C)CC2CCN(CCO)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-17(14-15-6-3-13(16-14)20-2)11-12-4-7-18(8-5-12)9-10-19/h3,6,12,19H,4-5,7-11H2,1-2H3
InChIKeyGXBMZTSNMBMKOL-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.63
Rot. Bonds6

About 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol

2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol (PubChem CID 56778037) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol
PubChem CID56778037
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol
SMILESCOc1ccnc(N(C)CC2CCN(CCO)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-17(14-15-6-3-13(16-14)20-2)11-12-4-7-18(8-5-12)9-10-19/h3,6,12,19H,4-5,7-11H2,1-2H3
InChIKeyGXBMZTSNMBMKOL-UHFFFAOYSA-N
XLogP0.63
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol (CID 56778037) is 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol is COc1ccnc(N(C)CC2CCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
The InChIKey is GXBMZTSNMBMKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(14-15-6-3-13(16-14)20-2)11-12-4-7-18(8-5-12)9-10-19/h3,6,12,19H,4-5,7-11H2,1-2H3.
What are the key properties of 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol?
2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol has a molecular weight of 280.37 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-methoxypyrimidin-2-yl)-methylamino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 56778037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).