N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine

C11H22N2O — CID 116869324

IUPACN-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine
SMILESCNCC1(C2CCN(C)CC2)COC1
InChIInChI=1S/C11H22N2O/c1-12-7-11(8-14-9-11)10-3-5-13(2)6-4-10/h10,12H,3-9H2,1-2H3
InChIKeyASFLIVPUDMLVJC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds3

About N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine

N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine (PubChem CID 116869324) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine
PubChem CID116869324
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine
SMILESCNCC1(C2CCN(C)CC2)COC1
InChIInChI=1S/C11H22N2O/c1-12-7-11(8-14-9-11)10-3-5-13(2)6-4-10/h10,12H,3-9H2,1-2H3
InChIKeyASFLIVPUDMLVJC-UHFFFAOYSA-N
XLogP0.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874978
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
N-methyl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
CID 121207427
[1-(1-methylpiperidin-4-yl)cyclopropyl]methanol
CID 116963507
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874838
2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
CID 116869961
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
2-[[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]methyl]morpholine
CID 116874155
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine
CID 115249268
[1-(1-methylpiperidin-4-yl)cyclobutyl]methanol
CID 116963830
[1-(methylaminomethyl)cyclobutyl]-(1-methylpiperidin-4-yl)methanone
CID 116921797
2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol
CID 116875303

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine (CID 116869324) is N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine is CNCC1(C2CCN(C)CC2)COC1.
What is the InChIKey of N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine?
The InChIKey is ASFLIVPUDMLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-7-11(8-14-9-11)10-3-5-13(2)6-4-10/h10,12H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine?
N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine is sourced from PubChem (CID 116869324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).