4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine

C17H25N5O — CID 655880

IUPAC4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine
SMILESCC(C)C(c1nnnn1CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25N5O/c1-14(2)16(21-10-12-23-13-11-21)17-18-19-20-22(17)9-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyFOQJIOJRGIQLFL-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.95
Rot. Bonds6

About 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine

4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine (PubChem CID 655880) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine
PubChem CID655880
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine
SMILESCC(C)C(c1nnnn1CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C17H25N5O/c1-14(2)16(21-10-12-23-13-11-21)17-18-19-20-22(17)9-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyFOQJIOJRGIQLFL-UHFFFAOYSA-N
XLogP1.95
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine?
The IUPAC name of 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine (CID 655880) is 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine?
The canonical SMILES for 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine is CC(C)C(c1nnnn1CCc1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine?
The InChIKey is FOQJIOJRGIQLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-14(2)16(21-10-12-23-13-11-21)17-18-19-20-22(17)9-8-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine?
4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine has a molecular weight of 315.42 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]morpholine is sourced from PubChem (CID 655880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).