7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane

C21H32N2O — CID 129053751

IUPAC7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane
SMILESCCN1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C21H32N2O/c1-2-22-16-20(24-21(17-22)11-12-21)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3
InChIKeyLFSWDRSMOARPDK-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.19
Rot. Bonds5

About 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane

7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 129053751) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane
PubChem CID129053751
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane
SMILESCCN1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C21H32N2O/c1-2-22-16-20(24-21(17-22)11-12-21)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3
InChIKeyLFSWDRSMOARPDK-UHFFFAOYSA-N
XLogP3.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152
US10927128, Example 46
CID 135332725
2,4-Dimethyl-9-(2-phenylethyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 23643977
2,4-Dimethyl-9-(3-phenylpropyl)-3-oxa-9-aza-6-azoniaspiro[5.5]undecane chloride
CID 24758613
US10421750, Example 7
CID 129053734
US10421750, Example 14
CID 129053742
2-(1-Benzylpiperidin-4-yl)-4-ethylmorpholine
CID 129053792
US10689398, Example 16
CID 129053823
US10689398, Example 87
CID 129053830
US10689398, Example 84
CID 129053873
US10689398, Example 78
CID 129069868
US10689398, Example 79
CID 129069869

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane (CID 129053751) is 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane is CCN1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is LFSWDRSMOARPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-2-22-16-20(24-21(17-22)11-12-21)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,19-20H,2,8-17H2,1H3.
What are the key properties of 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane?
7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 328.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[1-(2-phenylethyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 129053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).