1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine

C14H25NO3 — CID 113414133

IUPAC1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine
SMILESC1CCN(CCOC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H25NO3/c1-2-8-15(7-1)9-10-16-13-3-5-14(6-4-13)17-11-12-18-14/h13H,1-12H2
InChIKeyPZWUPJLMEDMOOW-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine

1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine (PubChem CID 113414133) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine
PubChem CID113414133
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine
SMILESC1CCN(CCOC2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C14H25NO3/c1-2-8-15(7-1)9-10-16-13-3-5-14(6-4-13)17-11-12-18-14/h13H,1-12H2
InChIKeyPZWUPJLMEDMOOW-UHFFFAOYSA-N
XLogP1.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]piperidine
CID 113414152
8-[3-(2-methoxyethoxy)propoxy]-1,4-dioxaspiro[4.5]decane
CID 103409869
1-(2-cyclohexyloxyethyl)-1,5-diazocane
CID 63826545
1-[(3R)-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97477702
(3S,5R)-9-cyclobutyl-3-(2-pyrrolidin-1-ylethoxy)-1-oxa-9-azaspiro[4.5]decane
CID 124911945
1-(2-cyclobutyloxyethyl)-4-ethylpiperazine
CID 142616194
1-[2-(3-methylcyclobutyl)oxyethyl]piperidine
CID 167531416
3-(2-piperidin-1-ylethoxy)cyclopentan-1-amine
CID 79459282
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
CID 113414160
8-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 103748161
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine
CID 63903619
3-(2-piperidin-1-ylethoxy)cyclohexan-1-amine
CID 79465695

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine (CID 113414133) is 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine is C1CCN(CCOC2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine?
The InChIKey is PZWUPJLMEDMOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-8-15(7-1)9-10-16-13-3-5-14(6-4-13)17-11-12-18-14/h13H,1-12H2.
What are the key properties of 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine?
1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine has a molecular weight of 255.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dioxaspiro[4.5]decan-8-yloxy)ethyl]pyrrolidine is sourced from PubChem (CID 113414133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).