4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C21H32N2O2 — CID 118746582

IUPAC4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCOC3(CCN(CC4CCOC4)CC3)C2)cc1
InChIInChI=1S/C21H32N2O2/c1-18-2-4-19(5-3-18)14-23-11-13-25-21(17-23)7-9-22(10-8-21)15-20-6-12-24-16-20/h2-5,20H,6-17H2,1H3
InChIKeyDDVTZZACVKEGJY-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.70
Rot. Bonds4

About 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 118746582) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID118746582
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCOC3(CCN(CC4CCOC4)CC3)C2)cc1
InChIInChI=1S/C21H32N2O2/c1-18-2-4-19(5-3-18)14-23-11-13-25-21(17-23)7-9-22(10-8-21)15-20-6-12-24-16-20/h2-5,20H,6-17H2,1H3
InChIKeyDDVTZZACVKEGJY-UHFFFAOYSA-N
XLogP2.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
CID 24761181
4-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
CID 10193234
4-[4-[4-(Piperidin-1-ylmethyl)phenyl]but-3-ynyl]morpholine
CID 10236617
4,4'-[[1,1'-Biphenyl]-4,4'-diylbis(methylene)]bis(morpholine)
CID 44414519
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
US10421750, Example 14
CID 129053742
US10421750, Example 11
CID 129053751
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
US10689398, Example 86
CID 129053806
US10689398, Example 84
CID 129053873
US10689398, Example 80
CID 129069870
US10689398, Example 81
CID 129069871

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 118746582) is 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1ccc(CN2CCOC3(CCN(CC4CCOC4)CC3)C2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is DDVTZZACVKEGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18-2-4-19(5-3-18)14-23-11-13-25-21(17-23)7-9-22(10-8-21)15-20-6-12-24-16-20/h2-5,20H,6-17H2,1H3.
What are the key properties of 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 344.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-9-(oxolan-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 118746582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).