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

C13H22N4O2 — CID 50970844

IUPAC1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol
SMILESCCOc1ccnc(NCCN2CCC(O)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-19-12-3-6-14-13(16-12)15-7-10-17-8-4-11(18)5-9-17/h3,6,11,18H,2,4-5,7-10H2,1H3,(H,14,15,16)
InChIKeyQGRKRRKDOVQDQO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.74
Rot. Bonds6

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

1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol (PubChem CID 50970844) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol
PubChem CID50970844
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol
SMILESCCOc1ccnc(NCCN2CCC(O)CC2)n1
InChIInChI=1S/C13H22N4O2/c1-2-19-12-3-6-14-13(16-12)15-7-10-17-8-4-11(18)5-9-17/h3,6,11,18H,2,4-5,7-10H2,1H3,(H,14,15,16)
InChIKeyQGRKRRKDOVQDQO-UHFFFAOYSA-N
XLogP0.74
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.74
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-ol?
The IUPAC name of 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol (CID 50970844) is 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol is CCOc1ccnc(NCCN2CCC(O)CC2)n1.
What is the InChIKey of 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
The InChIKey is QGRKRRKDOVQDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-19-12-3-6-14-13(16-12)15-7-10-17-8-4-11(18)5-9-17/h3,6,11,18H,2,4-5,7-10H2,1H3,(H,14,15,16).
What are the key properties of 1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol?
1-[2-[(4-ethoxypyrimidin-2-yl)amino]ethyl]piperidin-4-ol has a molecular weight of 266.34 g/mol, XLogP of 0.74, 6 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-ol is sourced from PubChem (CID 50970844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).