4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine

C14H27N3O — CID 166688771

IUPAC4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine
SMILESCC(C)C1=CNCC(CCCN2CCOCC2)N1
InChIInChI=1S/C14H27N3O/c1-12(2)14-11-15-10-13(16-14)4-3-5-17-6-8-18-9-7-17/h11-13,15-16H,3-10H2,1-2H3
InChIKeyQDOWPIVZWKDDTA-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.16
Rot. Bonds5

About 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine

4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine (PubChem CID 166688771) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine
PubChem CID166688771
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine
SMILESCC(C)C1=CNCC(CCCN2CCOCC2)N1
InChIInChI=1S/C14H27N3O/c1-12(2)14-11-15-10-13(16-14)4-3-5-17-6-8-18-9-7-17/h11-13,15-16H,3-10H2,1-2H3
InChIKeyQDOWPIVZWKDDTA-UHFFFAOYSA-N
XLogP1.16
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine?
The IUPAC name of 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine (CID 166688771) is 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine is CC(C)C1=CNCC(CCCN2CCOCC2)N1.
What is the InChIKey of 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine?
The InChIKey is QDOWPIVZWKDDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(2)14-11-15-10-13(16-14)4-3-5-17-6-8-18-9-7-17/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine?
4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine has a molecular weight of 253.39 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-propan-2-yl-1,2,3,4-tetrahydropyrazin-2-yl)propyl]morpholine is sourced from PubChem (CID 166688771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).