1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine

C12H24N2O2 — CID 104761944

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
SMILESCOC1(CN2CCC(N)C(C)C2)CCOC1
InChIInChI=1S/C12H24N2O2/c1-10-7-14(5-3-11(10)13)8-12(15-2)4-6-16-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyMBKCTIHYSXLWQW-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.46
Rot. Bonds3

About 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine

1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine (PubChem CID 104761944) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
PubChem CID104761944
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
SMILESCOC1(CN2CCC(N)C(C)C2)CCOC1
InChIInChI=1S/C12H24N2O2/c1-10-7-14(5-3-11(10)13)8-12(15-2)4-6-16-9-12/h10-11H,3-9,13H2,1-2H3
InChIKeyMBKCTIHYSXLWQW-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methyl]-N,3-dimethylpiperidin-4-amine
CID 113450335
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
3-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine
CID 104766369
3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
CID 104766156
5-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 113450811
3-tert-butyl-1-[(3-methoxyoxolan-3-yl)methyl]-1,4-diazepane
CID 104766407
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
1-[(3-methoxyoxolan-3-yl)methyl]-N,2,3-trimethylpiperidin-4-amine
CID 104761957
4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766126
1-[(3-methyloxolan-3-yl)methyl]pyrrolidin-3-amine
CID 131219232
4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766136

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine (CID 104761944) is 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine is COC1(CN2CCC(N)C(C)C2)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine?
The InChIKey is MBKCTIHYSXLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-7-14(5-3-11(10)13)8-12(15-2)4-6-16-9-12/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine?
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine has a molecular weight of 228.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 104761944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).