1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C13H23F3N2O2 — CID 103805704

IUPAC1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC(C)NCC1CCCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-10(2)17-6-11-4-3-5-18(7-11)12(19)8-20-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyGYUFELPZZSKFJT-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.80
Rot. Bonds6

About 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103805704) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103805704
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC(C)NCC1CCCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-10(2)17-6-11-4-3-5-18(7-11)12(19)8-20-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3
InChIKeyGYUFELPZZSKFJT-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119539118
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103807110
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
2-cyclopentyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241290
2-cyclohexyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241326
3-ethoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63240826
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337
2-phenoxy-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 63241143
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241777
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone;hydrochloride
CID 119543398
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103805704) is 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CC(C)NCC1CCCN(C(=O)COCC(F)(F)F)C1.
What is the InChIKey of 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is GYUFELPZZSKFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-10(2)17-6-11-4-3-5-18(7-11)12(19)8-20-9-13(14,15)16/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 296.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103805704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).