2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

C12H22F3N3O — CID 103441880

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC1CCN(C(C)C(=O)NCC(F)(F)F)C(CN)C1
InChIInChI=1S/C12H22F3N3O/c1-8-3-4-18(10(5-8)6-16)9(2)11(19)17-7-12(13,14)15/h8-10H,3-7,16H2,1-2H3,(H,17,19)
InChIKeyOIQLPNCWPZIKQK-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.11
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103441880) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103441880
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCC1CCN(C(C)C(=O)NCC(F)(F)F)C(CN)C1
InChIInChI=1S/C12H22F3N3O/c1-8-3-4-18(10(5-8)6-16)9(2)11(19)17-7-12(13,14)15/h8-10H,3-7,16H2,1-2H3,(H,17,19)
InChIKeyOIQLPNCWPZIKQK-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 103441880) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CC1CCN(C(C)C(=O)NCC(F)(F)F)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OIQLPNCWPZIKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-8-3-4-18(10(5-8)6-16)9(2)11(19)17-7-12(13,14)15/h8-10H,3-7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103441880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).