3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine

C15H30N2O — CID 139475070

IUPAC3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(OC2CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)11-17-7-5-13(6-8-17)18-14-9-12(10-14)16-4/h12-14,16H,5-11H2,1-4H3
InChIKeyRZOUMRCPOIBWFI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds4

About 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine (PubChem CID 139475070) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine
PubChem CID139475070
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(OC2CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C15H30N2O/c1-15(2,3)11-17-7-5-13(6-8-17)18-14-9-12(10-14)16-4/h12-14,16H,5-11H2,1-4H3
InChIKeyRZOUMRCPOIBWFI-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine (CID 139475070) is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine is CNC1CC(OC2CCN(CC(C)(C)C)CC2)C1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine?
The InChIKey is RZOUMRCPOIBWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-15(2,3)11-17-7-5-13(6-8-17)18-14-9-12(10-14)16-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine?
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 139475070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).