1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

C10H17F3N2O — CID 57115956

IUPAC1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(CN)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(6-14)8-2-4-15(5-3-8)9(16)10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyOXNSVGMDUMKYKW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.38
Rot. Bonds2

About 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 57115956) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID57115956
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESCC(CN)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(6-14)8-2-4-15(5-3-8)9(16)10(11,12)13/h7-8H,2-6,14H2,1H3
InChIKeyOXNSVGMDUMKYKW-UHFFFAOYSA-N
XLogP1.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone (CID 57115956) is 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is CC(CN)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is OXNSVGMDUMKYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(6-14)8-2-4-15(5-3-8)9(16)10(11,12)13/h7-8H,2-6,14H2,1H3.
What are the key properties of 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 238.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropan-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 57115956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).