12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane

C25H32N2O — CID 129069869

IUPAC12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
SMILESc1ccc(CCN2CCCC3(C2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-17-26-16-7-13-25(20-26)21-27(19-24(28-25)14-15-24)18-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
InChIKeyBXWGTAIMRHAYFP-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.13
Rot. Bonds5

About 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane

12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 129069869) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
PubChem CID129069869
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane
SMILESc1ccc(CCN2CCCC3(C2)CN(Cc2ccccc2)CC2(CC2)O3)cc1
InChIInChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-17-26-16-7-13-25(20-26)21-27(19-24(28-25)14-15-24)18-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2
InChIKeyBXWGTAIMRHAYFP-UHFFFAOYSA-N
XLogP4.13
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(methylene)]bis(morpholine)
CID 44414519
4-[[4-[4-(Piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
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CID 129053742
US10421750, Example 11
CID 129053751
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
US10689398, Example 86
CID 129053806
US10689398, Example 19
CID 129053836
US10689398, Example 84
CID 129053873
US10689398, Example 82
CID 129069867
US10689398, Example 78
CID 129069868
US10689398, Example 80
CID 129069870
US10689398, Example 81
CID 129069871

Frequently Asked Questions

What is the IUPAC name of 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane (CID 129069869) is 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane is c1ccc(CCN2CCCC3(C2)CN(Cc2ccccc2)CC2(CC2)O3)cc1.
What is the InChIKey of 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is BXWGTAIMRHAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-8-22(9-4-1)12-17-26-16-7-13-25(20-26)21-27(19-24(28-25)14-15-24)18-23-10-5-2-6-11-23/h1-6,8-11H,7,12-21H2.
What are the key properties of 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane?
12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 376.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-benzyl-7-(2-phenylethyl)-4-oxa-7,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 129069869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).