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

C17H34N2O — CID 126671191

IUPAC3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(OC2CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2O/c1-13(2)18-14-10-16(11-14)20-15-6-8-19(9-7-15)12-17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyHXLYDOMSTHHGMR-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.04
Rot. Bonds5

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

3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine (PubChem CID 126671191) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
PubChem CID126671191
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(OC2CCN(CC(C)(C)C)CC2)C1
InChIInChI=1S/C17H34N2O/c1-13(2)18-14-10-16(11-14)20-15-6-8-19(9-7-15)12-17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyHXLYDOMSTHHGMR-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.04
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-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine (CID 126671191) is 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine is CC(C)NC1CC(OC2CCN(CC(C)(C)C)CC2)C1.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is HXLYDOMSTHHGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13(2)18-14-10-16(11-14)20-15-6-8-19(9-7-15)12-17(3,4)5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine?
3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.04, 5 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-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 126671191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).