4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

C20H30N2O — CID 135374640

IUPAC4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CCN2CCC3(CC2)CN(CC2CC2)CCO3)cc1
InChIInChI=1S/C20H30N2O/c1-2-4-18(5-3-1)8-11-21-12-9-20(10-13-21)17-22(14-15-23-20)16-19-6-7-19/h1-5,19H,6-17H2
InChIKeyFBJZNFMIDYXFCH-UHFFFAOYSA-N
MW314.47 g/mol
LogP2.81
Rot. Bonds5

About 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane

4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 135374640) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID135374640
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1ccc(CCN2CCC3(CC2)CN(CC2CC2)CCO3)cc1
InChIInChI=1S/C20H30N2O/c1-2-4-18(5-3-1)8-11-21-12-9-20(10-13-21)17-22(14-15-23-20)16-19-6-7-19/h1-5,19H,6-17H2
InChIKeyFBJZNFMIDYXFCH-UHFFFAOYSA-N
XLogP2.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-Methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 20522011
4-(2-Phenylpropyl)morpholine
CID 2845855
Morpholine, 4-((1-phenylcyclohexyl)methyl)-
CID 567602
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
US10927128, Example 46
CID 135332725
Morpholine, 4-(3,3-diphenylpropyl)-, hydrochloride
CID 201144
2,4-Dimethyl-9-(2-phenylethyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 23643977

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane (CID 135374640) is 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is c1ccc(CCN2CCC3(CC2)CN(CC2CC2)CCO3)cc1.
What is the InChIKey of 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is FBJZNFMIDYXFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-4-18(5-3-1)8-11-21-12-9-20(10-13-21)17-22(14-15-23-20)16-19-6-7-19/h1-5,19H,6-17H2.
What are the key properties of 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 314.47 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135374640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).