[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine

C15H30N2O — CID 82719050

IUPAC[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12-15(11-16,7-10-18-12)17-8-5-13(6-9-17)14(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyHVXSVLJELCGOOR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds2

About [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine

[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine (PubChem CID 82719050) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
PubChem CID82719050
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-12-15(11-16,7-10-18-12)17-8-5-13(6-9-17)14(2,3)4/h12-13H,5-11,16H2,1-4H3
InChIKeyHVXSVLJELCGOOR-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine (CID 82719050) is [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine is CC1OCCC1(CN)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine?
The InChIKey is HVXSVLJELCGOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12-15(11-16,7-10-18-12)17-8-5-13(6-9-17)14(2,3)4/h12-13H,5-11,16H2,1-4H3.
What are the key properties of [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine?
[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 82719050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).