5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine

C12H26N2O — CID 112590949

IUPAC5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
SMILESCC1CC(N)CN(CCOC(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10-7-11(13)9-14(8-10)5-6-15-12(2,3)4/h10-11H,5-9,13H2,1-4H3
InChIKeyUTQDMCIZTFAXAE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds3

About 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine

5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine (PubChem CID 112590949) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
PubChem CID112590949
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine
SMILESCC1CC(N)CN(CCOC(C)(C)C)C1
InChIInChI=1S/C12H26N2O/c1-10-7-11(13)9-14(8-10)5-6-15-12(2,3)4/h10-11H,5-9,13H2,1-4H3
InChIKeyUTQDMCIZTFAXAE-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine (CID 112590949) is 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine is CC1CC(N)CN(CCOC(C)(C)C)C1.
What is the InChIKey of 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine?
The InChIKey is UTQDMCIZTFAXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-7-11(13)9-14(8-10)5-6-15-12(2,3)4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine?
5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-amine is sourced from PubChem (CID 112590949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).