4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine

C15H27NO2 — CID 102898844

IUPAC4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
SMILESC1CCC2(C1)CCC(COCC1CCNCC1)O2
InChIInChI=1S/C15H27NO2/c1-2-7-15(6-1)8-3-14(18-15)12-17-11-13-4-9-16-10-5-13/h13-14,16H,1-12H2
InChIKeyKRURNPLCLVGLFI-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds4

About 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine

4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine (PubChem CID 102898844) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine.

Molecular Properties

Compound Name4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
PubChem CID102898844
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
SMILESC1CCC2(C1)CCC(COCC1CCNCC1)O2
InChIInChI=1S/C15H27NO2/c1-2-7-15(6-1)8-3-14(18-15)12-17-11-13-4-9-16-10-5-13/h13-14,16H,1-12H2
InChIKeyKRURNPLCLVGLFI-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
CID 102898886
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
CID 102898856
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
CID 102896245
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfanylmethyl)azetidine
CID 102898419
piperidin-4-ylmethoxymethylalumane
CID 146804034
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(3S)-3-(cyclobutylmethoxymethyl)pyrrolidine
CID 86321931
2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)cyclopentan-1-amine
CID 102898902
4-(2,2-dimethylpropoxymethyl)piperidine
CID 26188639
3-(5-oxaspiro[3.5]nonan-6-ylmethoxy)azetidine
CID 165499811

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine?
The IUPAC name of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine (CID 102898844) is 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine.
What is the SMILES notation for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine?
The canonical SMILES for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine is C1CCC2(C1)CCC(COCC1CCNCC1)O2.
What is the InChIKey of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine?
The InChIKey is KRURNPLCLVGLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-7-15(6-1)8-3-14(18-15)12-17-11-13-4-9-16-10-5-13/h13-14,16H,1-12H2.
What are the key properties of 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine?
4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine is sourced from PubChem (CID 102898844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).