2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine

C10H19N3O — CID 131187666

IUPAC2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCOC1(C2=NCCCN2)CCNCC1
InChIInChI=1S/C10H19N3O/c1-14-10(3-7-11-8-4-10)9-12-5-2-6-13-9/h11H,2-8H2,1H3,(H,12,13)
InChIKeyCXKJQFHWKZRWNI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.15
Rot. Bonds2

About 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine

2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine (PubChem CID 131187666) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine
PubChem CID131187666
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine
SMILESCOC1(C2=NCCCN2)CCNCC1
InChIInChI=1S/C10H19N3O/c1-14-10(3-7-11-8-4-10)9-12-5-2-6-13-9/h11H,2-8H2,1H3,(H,12,13)
InChIKeyCXKJQFHWKZRWNI-UHFFFAOYSA-N
XLogP0.15
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine (CID 131187666) is 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine is COC1(C2=NCCCN2)CCNCC1.
What is the InChIKey of 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine?
The InChIKey is CXKJQFHWKZRWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-14-10(3-7-11-8-4-10)9-12-5-2-6-13-9/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine?
2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine has a molecular weight of 197.28 g/mol, XLogP of 0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-4-yl)-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 131187666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).