3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

C14H27N3O — CID 17088047

IUPAC3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCN1CCN(C2COC3(CCNCC3)C2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-7-9-17(10-8-16)13-11-14(18-12-13)3-5-15-6-4-14/h13,15H,2-12H2,1H3
InChIKeyXEMRDGWIXULDQK-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.54
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane

3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (PubChem CID 17088047) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
PubChem CID17088047
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
SMILESCCN1CCN(C2COC3(CCNCC3)C2)CC1
InChIInChI=1S/C14H27N3O/c1-2-16-7-9-17(10-8-16)13-11-14(18-12-13)3-5-15-6-4-14/h13,15H,2-12H2,1H3
InChIKeyXEMRDGWIXULDQK-UHFFFAOYSA-N
XLogP0.54
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2,8-dimethyl-1-oxa-8-azaspiro[4.5]decane
CID 9989940
8-Methyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 10374857
8-(Cyclopropylmethyl)-3-(4-methylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane
CID 118747004
3-(4-Morpholinyl)-1-oxa-8-azaspiro[4.5]decane dihydrochloride
CID 6473701
9-Methyl-5-(3,3,3-trifluoropropyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 165591627
1-Oxa-8-azaspiro[4.5]decane, 3-(4-morpholinyl)-, dihydrochloride
CID 6473700
(3S)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 8068850
(3R)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 8068852
9-Isopropyl-1-oxa-4,9-diaza-spiro[5.5]undecane
CID 22055458
3,4-Diethyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 68311099
1',4-Dimethylspiro[3-oxa-6-azabicyclo[3.1.0]hexane-2,4'-piperidine]
CID 86659311
1-Oxa-8-azaspiro[4.5]decan-3-amine
CID 91618428

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane (CID 17088047) is 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is CCN1CCN(C2COC3(CCNCC3)C2)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is XEMRDGWIXULDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-16-7-9-17(10-8-16)13-11-14(18-12-13)3-5-15-6-4-14/h13,15H,2-12H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane?
3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 253.39 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 17088047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).