4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine

C15H22N4O — CID 4639789

IUPAC4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine
SMILESCc1cccc2c1nnn2C(C(C)C)N1CCOCC1
InChIInChI=1S/C15H22N4O/c1-11(2)15(18-7-9-20-10-8-18)19-13-6-4-5-12(3)14(13)16-17-19/h4-6,11,15H,7-10H2,1-3H3
InChIKeyLNUHCIWQINWKHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.23
Rot. Bonds3

About 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine

4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine (PubChem CID 4639789) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine
PubChem CID4639789
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine
SMILESCc1cccc2c1nnn2C(C(C)C)N1CCOCC1
InChIInChI=1S/C15H22N4O/c1-11(2)15(18-7-9-20-10-8-18)19-13-6-4-5-12(3)14(13)16-17-19/h4-6,11,15H,7-10H2,1-3H3
InChIKeyLNUHCIWQINWKHV-UHFFFAOYSA-N
XLogP2.23
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine (CID 4639789) is 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine is Cc1cccc2c1nnn2C(C(C)C)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine?
The InChIKey is LNUHCIWQINWKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)15(18-7-9-20-10-8-18)19-13-6-4-5-12(3)14(13)16-17-19/h4-6,11,15H,7-10H2,1-3H3.
What are the key properties of 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine?
4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine has a molecular weight of 274.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-(4-methylbenzotriazol-1-yl)propyl]morpholine is sourced from PubChem (CID 4639789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).