1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine

C13H23NO2 — CID 2908544

IUPAC1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine
SMILESC1CCN(CC2COC3(CCCC3)O2)CC1
InChIInChI=1S/C13H23NO2/c1-4-8-14(9-5-1)10-12-11-15-13(16-12)6-2-3-7-13/h12H,1-11H2
InChIKeyMDFREHKZUVNFJP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.16
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine

1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine (PubChem CID 2908544) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine
PubChem CID2908544
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine
SMILESC1CCN(CC2COC3(CCCC3)O2)CC1
InChIInChI=1S/C13H23NO2/c1-4-8-14(9-5-1)10-12-11-15-13(16-12)6-2-3-7-13/h12H,1-11H2
InChIKeyMDFREHKZUVNFJP-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine?
The IUPAC name of 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine (CID 2908544) is 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine is C1CCN(CC2COC3(CCCC3)O2)CC1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine?
The InChIKey is MDFREHKZUVNFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-8-14(9-5-1)10-12-11-15-13(16-12)6-2-3-7-13/h12H,1-11H2.
What are the key properties of 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine?
1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine has a molecular weight of 225.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidine is sourced from PubChem (CID 2908544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).