1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

C16H21F3N2O2 — CID 128986364

IUPAC1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CC(N)CCC1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-23-13-5-3-2-4-11(13)6-9-15(22)21-10-12(20)7-8-14(21)16(17,18)19/h2-5,12,14H,6-10,20H2,1H3
InChIKeyXIOXEAPDWARMEI-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.51
Rot. Bonds4

About 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one

1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one (PubChem CID 128986364) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
PubChem CID128986364
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
SMILESCOc1ccccc1CCC(=O)N1CC(N)CCC1C(F)(F)F
InChIInChI=1S/C16H21F3N2O2/c1-23-13-5-3-2-4-11(13)6-9-15(22)21-10-12(20)7-8-14(21)16(17,18)19/h2-5,12,14H,6-10,20H2,1H3
InChIKeyXIOXEAPDWARMEI-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 128986438
1-[(2R,5S)-5-amino-2-(trifluoromethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 129353669
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 56861948
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165
3-(2-methoxyphenyl)-1-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]propan-1-one
CID 172890049
1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 128972536
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(2-methoxyphenyl)propan-1-one
CID 119635537

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one (CID 128986364) is 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one is COc1ccccc1CCC(=O)N1CC(N)CCC1C(F)(F)F.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
The InChIKey is XIOXEAPDWARMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-23-13-5-3-2-4-11(13)6-9-15(22)21-10-12(20)7-8-14(21)16(17,18)19/h2-5,12,14H,6-10,20H2,1H3.
What are the key properties of 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one?
1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one has a molecular weight of 330.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 128986364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).