1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine

C17H34N2O — CID 79927122

IUPAC1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-6-7-10-19-11-8-14(9-12-19)18-15-13-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyOAIQHPNTNNMTFY-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.19
Rot. Bonds5

About 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine

1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine (PubChem CID 79927122) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
PubChem CID79927122
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-6-7-10-19-11-8-14(9-12-19)18-15-13-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3
InChIKeyOAIQHPNTNNMTFY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine (CID 79927122) is 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine is CCCCN1CCC(NC2CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
The InChIKey is OAIQHPNTNNMTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-6-7-10-19-11-8-14(9-12-19)18-15-13-16(2,3)20-17(15,4)5/h14-15,18H,6-13H2,1-5H3.
What are the key properties of 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine?
1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine has a molecular weight of 282.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,2,5,5-tetramethyloxolan-3-yl)piperidin-4-amine is sourced from PubChem (CID 79927122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).