1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

C14H26F3N3O — CID 78958133

IUPAC1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC(C)N(C)CC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-11(2)19(3)9-12-4-6-20(7-5-12)13(21)8-18-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyPERFLSDAJMXTLI-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.72
Rot. Bonds6

About 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone

1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 78958133) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID78958133
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
SMILESCC(C)N(C)CC1CCN(C(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-11(2)19(3)9-12-4-6-20(7-5-12)13(21)8-18-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3
InChIKeyPERFLSDAJMXTLI-UHFFFAOYSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone with MolForge

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Related Compounds

3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-3-oxopropanoic acid
CID 62229912
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
CID 60950485
2,2-dimethyl-4-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-4-oxobutanoic acid
CID 65302720
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60953267
4-amino-3-methyl-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]butan-1-one
CID 81087005
2-ethoxy-1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 61242500
N-[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-4-yl]ethanesulfonamide
CID 78958031
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28595912
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 103745543
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
1-[4-[2-(2,2,2-trifluoroethylamino)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 78958458

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone (CID 78958133) is 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is CC(C)N(C)CC1CCN(C(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is PERFLSDAJMXTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-11(2)19(3)9-12-4-6-20(7-5-12)13(21)8-18-10-14(15,16)17/h11-12,18H,4-10H2,1-3H3.
What are the key properties of 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone?
1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 309.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 78958133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).