1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine

C13H26F2N2 — CID 118531508

IUPAC1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine
SMILESCN(CC(C)(F)F)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26F2N2/c1-12(2,3)17-8-6-11(7-9-17)16(5)10-13(4,14)15/h11H,6-10H2,1-5H3
InChIKeyMVWGLTVWMPQAAM-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.84
Rot. Bonds3

About 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine

1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine (PubChem CID 118531508) has the molecular formula C13H26F2N2 and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine
PubChem CID118531508
Molecular FormulaC13H26F2N2
Molecular Weight248.36 g/mol
Exact Mass248.21
IUPAC Name1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine
SMILESCN(CC(C)(F)F)C1CCN(C(C)(C)C)CC1
InChIInChI=1S/C13H26F2N2/c1-12(2,3)17-8-6-11(7-9-17)16(5)10-13(4,14)15/h11H,6-10H2,1-5H3
InChIKeyMVWGLTVWMPQAAM-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine (CID 118531508) is 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine is CN(CC(C)(F)F)C1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine?
The InChIKey is MVWGLTVWMPQAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2N2/c1-12(2,3)17-8-6-11(7-9-17)16(5)10-13(4,14)15/h11H,6-10H2,1-5H3.
What are the key properties of 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine?
1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine has a molecular weight of 248.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2,2-difluoropropyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 118531508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).