[1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol

C14H24N4O2 — CID 122566202

IUPAC[1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCCOc1ccnc(NCCN2CCC(CO)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-2-20-13-3-6-15-14(17-13)16-7-10-18-8-4-12(11-19)5-9-18/h3,6,12,19H,2,4-5,7-11H2,1H3,(H,15,16,17)
InChIKeyOLDYPDUOZTWTRH-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.99
Rot. Bonds7

About [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol

[1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol (PubChem CID 122566202) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
PubChem CID122566202
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol
SMILESCCOc1ccnc(NCCN2CCC(CO)CC2)n1
InChIInChI=1S/C14H24N4O2/c1-2-20-13-3-6-15-14(17-13)16-7-10-18-8-4-12(11-19)5-9-18/h3,6,12,19H,2,4-5,7-11H2,1H3,(H,15,16,17)
InChIKeyOLDYPDUOZTWTRH-UHFFFAOYSA-N
XLogP0.99
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol (CID 122566202) is [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol is CCOc1ccnc(NCCN2CCC(CO)CC2)n1.
What is the InChIKey of [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
The InChIKey is OLDYPDUOZTWTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-2-20-13-3-6-15-14(17-13)16-7-10-18-8-4-12(11-19)5-9-18/h3,6,12,19H,2,4-5,7-11H2,1H3,(H,15,16,17).
What are the key properties of [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol?
[1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol has a molecular weight of 280.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 122566202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).