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

C10H18F3N3O — CID 61492406

IUPAC2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-15-9(17)6-16-4-2-1-3-8(16)5-14/h8H,1-7,14H2,(H,15,17)
InChIKeyJKZJDBJEVDFSQS-UHFFFAOYSA-N
MW253.27 g/mol
LogP0.48
Rot. Bonds4

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

2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492406) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492406
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCC1CCCCN1CC(=O)NCC(F)(F)F
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)7-15-9(17)6-16-4-2-1-3-8(16)5-14/h8H,1-7,14H2,(H,15,17)
InChIKeyJKZJDBJEVDFSQS-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63250032
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63848368
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 111107052
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 82736709
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-(cyanomethyl)acetamide
CID 115312682
2-[(2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 97078667
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 114339583
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492406) is 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCC1CCCCN1CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is JKZJDBJEVDFSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)7-15-9(17)6-16-4-2-1-3-8(16)5-14/h8H,1-7,14H2,(H,15,17).
What are the key properties of 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 253.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).