4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine

C13H28N2O — CID 116500370

IUPAC4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine
SMILESCOCCC(C)N(C)CCC1CCCCN1
InChIInChI=1S/C13H28N2O/c1-12(8-11-16-3)15(2)10-7-13-6-4-5-9-14-13/h12-14H,4-11H2,1-3H3
InChIKeyDOMVBIFGUIFDGI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine

4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine (PubChem CID 116500370) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine
PubChem CID116500370
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine
SMILESCOCCC(C)N(C)CCC1CCCCN1
InChIInChI=1S/C13H28N2O/c1-12(8-11-16-3)15(2)10-7-13-6-4-5-9-14-13/h12-14H,4-11H2,1-3H3
InChIKeyDOMVBIFGUIFDGI-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)propan-2-amine
CID 61451310
4-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106602392
N-(2-methoxyethyl)-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 62212504
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butan-1-amine
CID 61429136
N,N-dimethyl-2-[(2S)-piperidin-2-yl]ethanamine
CID 7019358
2-[2-(3-methylbutoxy)ethyl]piperidine
CID 43149946
(2R)-2-[2-(3-methylbutoxy)ethyl]piperidine
CID 86313825
1-methoxy-N-(2-methoxyethyl)-N-(3-pyrrolidin-2-ylpropyl)propan-2-amine
CID 62480833
2-[methyl(2-piperidin-2-ylethyl)amino]butanamide
CID 66272994
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
2-[methyl(2-piperidin-2-ylethyl)amino]-N-pentan-3-ylpropanamide
CID 66274056

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine?
The IUPAC name of 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine (CID 116500370) is 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine is COCCC(C)N(C)CCC1CCCCN1.
What is the InChIKey of 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine?
The InChIKey is DOMVBIFGUIFDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-12(8-11-16-3)15(2)10-7-13-6-4-5-9-14-13/h12-14H,4-11H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine?
4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(2-piperidin-2-ylethyl)butan-2-amine is sourced from PubChem (CID 116500370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).