1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol

C18H24N4O2 — CID 154765649

IUPAC1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol
SMILESCNCC(O)c1cccc(-c2cnc(N3CCCC(O)C3)nc2)c1
InChIInChI=1S/C18H24N4O2/c1-19-11-17(24)14-5-2-4-13(8-14)15-9-20-18(21-10-15)22-7-3-6-16(23)12-22/h2,4-5,8-10,16-17,19,23-24H,3,6-7,11-12H2,1H3
InChIKeyPSLMGVGUAKXJAZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.36
Rot. Bonds5

About 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol

1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol (PubChem CID 154765649) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol
PubChem CID154765649
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol
SMILESCNCC(O)c1cccc(-c2cnc(N3CCCC(O)C3)nc2)c1
InChIInChI=1S/C18H24N4O2/c1-19-11-17(24)14-5-2-4-13(8-14)15-9-20-18(21-10-15)22-7-3-6-16(23)12-22/h2,4-5,8-10,16-17,19,23-24H,3,6-7,11-12H2,1H3
InChIKeyPSLMGVGUAKXJAZ-UHFFFAOYSA-N
XLogP1.36
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol (CID 154765649) is 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol is CNCC(O)c1cccc(-c2cnc(N3CCCC(O)C3)nc2)c1.
What is the InChIKey of 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is PSLMGVGUAKXJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-19-11-17(24)14-5-2-4-13(8-14)15-9-20-18(21-10-15)22-7-3-6-16(23)12-22/h2,4-5,8-10,16-17,19,23-24H,3,6-7,11-12H2,1H3.
What are the key properties of 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol?
1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 328.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 154765649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).