2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine

C17H31NO2 — CID 102898856

IUPAC2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
SMILESC1CCC2(CC1)CCC(COCCC1CCCCN1)O2
InChIInChI=1S/C17H31NO2/c1-3-9-17(10-4-1)11-7-16(20-17)14-19-13-8-15-6-2-5-12-18-15/h15-16,18H,1-14H2
InChIKeyBEUOWSFXGNOSIP-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine

2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine (PubChem CID 102898856) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
PubChem CID102898856
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine
SMILESC1CCC2(CC1)CCC(COCCC1CCCCN1)O2
InChIInChI=1S/C17H31NO2/c1-3-9-17(10-4-1)11-7-16(20-17)14-19-13-8-15-6-2-5-12-18-15/h15-16,18H,1-14H2
InChIKeyBEUOWSFXGNOSIP-UHFFFAOYSA-N
XLogP3.42
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(oxolan-2-ylmethoxy)ethyl]piperidine
CID 43149956
2-[2-(oxan-2-ylmethoxy)ethyl]piperidine
CID 43149954
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
CID 102898844
2-[2-(2-cyclohexylethoxy)ethyl]piperidine
CID 56829863
2-[2-[(3,3-difluorocyclohexyl)methoxy]ethyl]piperidine
CID 114224266
2-[2-[2-(oxolan-2-yl)ethoxy]ethyl]piperidine
CID 65163156
trimethyl(2-piperidin-2-ylethoxy)silane
CID 116530714
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
2-(2-octadecoxyethyl)piperidine
CID 140997929
2-(2-pentoxyethyl)piperidine;hydrochloride
CID 53408898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine?
The IUPAC name of 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine (CID 102898856) is 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine.
What is the SMILES notation for 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine?
The canonical SMILES for 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine is C1CCC2(CC1)CCC(COCCC1CCCCN1)O2.
What is the InChIKey of 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine?
The InChIKey is BEUOWSFXGNOSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-9-17(10-4-1)11-7-16(20-17)14-19-13-8-15-6-2-5-12-18-15/h15-16,18H,1-14H2.
What are the key properties of 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine?
2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine has a molecular weight of 281.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-oxaspiro[4.5]decan-2-ylmethoxy)ethyl]piperidine is sourced from PubChem (CID 102898856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).