5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane

C20H30N2O — CID 129053742

IUPAC5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane
SMILESCCN1CC(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C20H30N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
InChIKeyJYDIMCXCONPBLV-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.15
Rot. Bonds4

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

5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane (PubChem CID 129053742) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane
PubChem CID129053742
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane
SMILESCCN1CC(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C20H30N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3
InChIKeyJYDIMCXCONPBLV-UHFFFAOYSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Jnj-10181457
CID 9944610
2,6-Dimethyl-4-(1-(4-methylbenzyl)piperidin-4-yl)morpholine hydrochloride
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Dimorpholinophenylmethane
CID 80899
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
4-[[4-(4-Piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
CID 10193234
4-[4-[4-(Piperidin-1-ylmethyl)phenyl]but-3-ynyl]morpholine
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4-Benzylmorpholine-2-carbonitrile
CID 15651195
4-[4-[3-(Piperidin-1-ylmethyl)phenyl]but-3-ynyl]morpholine
CID 44243713
1-Benzyl-4-(cyclohexyloxymethyl)piperidine;hydrochloride
CID 45262148
4,4'-[1,4-Phenylenebis(methylene)]dimorpholine
CID 250932
4-Benzyl-2,2,6,6-tetramethylmorpholine
CID 12282999
4-Benzyl-4-methylmorpholin-4-ium
CID 16205156

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane (CID 129053742) is 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane is CCN1CC(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is JYDIMCXCONPBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-21-15-19(23-20(16-21)10-11-20)18-8-12-22(13-9-18)14-17-6-4-3-5-7-17/h3-7,18-19H,2,8-16H2,1H3.
What are the key properties of 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane?
5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 314.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylpiperidin-4-yl)-7-ethyl-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 129053742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).