1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C11H19F3N2O2 — CID 103807110

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC(N)C1CCCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-8(15)9-3-2-4-16(5-9)10(17)6-18-7-11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyMPHSCIHNYRYQND-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.15
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103807110) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103807110
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCC(N)C1CCCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-8(15)9-3-2-4-16(5-9)10(17)6-18-7-11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyMPHSCIHNYRYQND-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(cyclopropylmethoxy)ethanone
CID 124889456
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone;hydrochloride
CID 119593611
1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103805704
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 124691199
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 91645395
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119593481
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]butanamide
CID 119595563
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 125119581

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 103807110) is 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is CC(N)C1CCCN(C(=O)COCC(F)(F)F)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is MPHSCIHNYRYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(15)9-3-2-4-16(5-9)10(17)6-18-7-11(12,13)14/h8-9H,2-7,15H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 268.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103807110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).