3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine

C15H30N2O — CID 146183928

IUPAC3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCOC1CC(N(CC2CCN(C)CC2)C(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12(2)17(14-9-15(10-14)18-4)11-13-5-7-16(3)8-6-13/h12-15H,5-11H2,1-4H3
InChIKeyCTERPPIMIYIKKU-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds5

About 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine

3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine (PubChem CID 146183928) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
PubChem CID146183928
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine
SMILESCOC1CC(N(CC2CCN(C)CC2)C(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12(2)17(14-9-15(10-14)18-4)11-13-5-7-16(3)8-6-13/h12-15H,5-11H2,1-4H3
InChIKeyCTERPPIMIYIKKU-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine (CID 146183928) is 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine is COC1CC(N(CC2CCN(C)CC2)C(C)C)C1.
What is the InChIKey of 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is CTERPPIMIYIKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)17(14-9-15(10-14)18-4)11-13-5-7-16(3)8-6-13/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine?
3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 146183928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).