3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine

C12H25NO2 — CID 112587717

IUPAC3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
SMILESCC(C)(C)OCCOCC1CCCNC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-8-7-14-10-11-5-4-6-13-9-11/h11,13H,4-10H2,1-3H3
InChIKeyDGBSTRBLKKKMHK-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds5

About 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine

3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine (PubChem CID 112587717) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
PubChem CID112587717
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine
SMILESCC(C)(C)OCCOCC1CCCNC1
InChIInChI=1S/C12H25NO2/c1-12(2,3)15-8-7-14-10-11-5-4-6-13-9-11/h11,13H,4-10H2,1-3H3
InChIKeyDGBSTRBLKKKMHK-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.82
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

tert-butyl formate;3-(2-methoxyethoxymethyl)piperidine
CID 174520004
2,2-dimethyl-4-(piperidin-3-ylmethoxy)butanenitrile
CID 65253359
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
3-(ethoxymethyl)piperidine;hydrochloride
CID 17178071
(3S)-3-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 94408814
3-[2-(cyclobutylmethoxy)ethyl]piperidine
CID 56830620
3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
CID 116616556
2-methyl-1-(piperidin-3-ylmethoxy)butan-2-ol
CID 106939384
3-(cyclopropylmethoxymethoxymethyl)piperidine
CID 106937752
tert-butyl-dimethyl-[[(3S)-piperidin-3-yl]methoxy]silane
CID 150934264

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine (CID 112587717) is 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine is CC(C)(C)OCCOCC1CCCNC1.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine?
The InChIKey is DGBSTRBLKKKMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,3)15-8-7-14-10-11-5-4-6-13-9-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine?
3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]piperidine is sourced from PubChem (CID 112587717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).