1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine

C13H27NO — CID 58364990

IUPAC1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCCN1CCC(C)(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-6-14-9-7-13(5,8-10-14)11-15-12(2,3)4/h6-11H2,1-5H3
InChIKeyLXONHUOVDCCZLY-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds3

About 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine

1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine (PubChem CID 58364990) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
PubChem CID58364990
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
SMILESCCN1CCC(C)(COC(C)(C)C)CC1
InChIInChI=1S/C13H27NO/c1-6-14-9-7-13(5,8-10-14)11-15-12(2,3)4/h6-11H2,1-5H3
InChIKeyLXONHUOVDCCZLY-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The IUPAC name of 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine (CID 58364990) is 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine.
What is the SMILES notation for 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The canonical SMILES for 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine is CCN1CCC(C)(COC(C)(C)C)CC1.
What is the InChIKey of 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
The InChIKey is LXONHUOVDCCZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-14-9-7-13(5,8-10-14)11-15-12(2,3)4/h6-11H2,1-5H3.
What are the key properties of 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine?
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine has a molecular weight of 213.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine is sourced from PubChem (CID 58364990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).