2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine

C13H26N2O — CID 116869961

IUPAC2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
SMILESCN1CCC(C2(C(C)(C)CN)COC2)CC1
InChIInChI=1S/C13H26N2O/c1-12(2,8-14)13(9-16-10-13)11-4-6-15(3)7-5-11/h11H,4-10,14H2,1-3H3
InChIKeyTZHCGSAFEVMVMP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.33
Rot. Bonds3

About 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine

2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116869961) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
PubChem CID116869961
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
SMILESCN1CCC(C2(C(C)(C)CN)COC2)CC1
InChIInChI=1S/C13H26N2O/c1-12(2,8-14)13(9-16-10-13)11-4-6-15(3)7-5-11/h11H,4-10,14H2,1-3H3
InChIKeyTZHCGSAFEVMVMP-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-tert-butylcyclopropyl)-1-methylpiperidine
CID 118329233
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874838
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
CID 116873622
3-(1-methylpiperidin-4-yl)oxetane-3-thiol
CID 116872942
N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine
CID 116869324
2,2-dimethyl-3-[3-(1-methylpiperidin-3-yl)oxetan-3-yl]propan-1-amine
CID 116870438
1-methyl-4-(2-methyloxiran-2-yl)piperidine
CID 116864147
4-(1-amino-2-methylpropan-2-yl)-1-methylpiperidin-4-ol
CID 79135289
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-methylpiperidin-4-amine
CID 115249268
1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874997
2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]butan-1-ol
CID 116875303
N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874978

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine (CID 116869961) is 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine is CN1CCC(C2(C(C)(C)CN)COC2)CC1.
What is the InChIKey of 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is TZHCGSAFEVMVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2,8-14)13(9-16-10-13)11-4-6-15(3)7-5-11/h11H,4-10,14H2,1-3H3.
What are the key properties of 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine?
2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116869961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).