2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C10H18F3N3O — CID 61492407

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-15-9(17)6-16-3-1-8(5-14)2-4-16/h8H,1-7,14H2,(H,15,17)
InChIKeyXNWVMFIUNWIHTR-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.34
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492407) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492407
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-15-9(17)6-16-3-1-8(5-14)2-4-16/h8H,1-7,14H2,(H,15,17)
InChIKeyXNWVMFIUNWIHTR-UHFFFAOYSA-N
XLogP0.34
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114876490
2-[4-(3-aminopropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492440
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
2-(4-aminopiperidin-1-yl)-N-(3,3,3-trifluoropropyl)acetamide
CID 79327739
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63340092
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
2-[(3R)-3-phenylpyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95317472
N-(2-aminoethyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61207322
2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 79327517
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492407) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCC1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XNWVMFIUNWIHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-15-9(17)6-16-3-1-8(5-14)2-4-16/h8H,1-7,14H2,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).