1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone

C20H28F2N2O2 — CID 166854235

IUPAC1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(N)C1COC1CCC(F)(c2cccc(F)c2)CC1
InChIInChI=1S/C20H28F2N2O2/c1-14(25)24-11-3-6-18(23)19(24)13-26-17-7-9-20(22,10-8-17)15-4-2-5-16(21)12-15/h2,4-5,12,17-19H,3,6-11,13,23H2,1H3
InChIKeyJVAWFLWUWJMRQV-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.29
Rot. Bonds4

About 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone

1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone (PubChem CID 166854235) has the molecular formula C20H28F2N2O2 and a molecular weight of 366.45 g/mol. Its IUPAC name is 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
PubChem CID166854235
Molecular FormulaC20H28F2N2O2
Molecular Weight366.45 g/mol
Exact Mass366.21
IUPAC Name1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(N)C1COC1CCC(F)(c2cccc(F)c2)CC1
InChIInChI=1S/C20H28F2N2O2/c1-14(25)24-11-3-6-18(23)19(24)13-26-17-7-9-20(22,10-8-17)15-4-2-5-16(21)12-15/h2,4-5,12,17-19H,3,6-11,13,23H2,1H3
InChIKeyJVAWFLWUWJMRQV-UHFFFAOYSA-N
XLogP3.29
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R,3S)-3-amino-2-[[4-(2,6-dimethylphenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854217
1-[(2R,3S)-3-amino-2-[[4-[3-(fluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166854083
methyl 3-amino-2-[[1-(3-fluorophenyl)piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 166990227
1-[(2R,3S)-3-amino-2-[[4-[3-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166990634
1-[3-amino-2-[[4-[3-(trifluoromethoxy)phenyl]cyclohexyl]oxymethyl]piperidin-1-yl]ethanone
CID 166990388
1-[(2R,3S)-3-amino-2-[(3-phenylcyclopentyl)oxymethyl]piperidin-1-yl]ethanone
CID 166854328
[(2R,3S)-3-amino-2-[[4-(2,5-difluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854238
1-[(2R,3S)-3-amino-2-[(4-phenylcyclohexyl)oxymethyl]piperidin-1-yl]propane-1,2-dione
CID 166854291
1-[3-amino-2-[[4-(3,5-difluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-2-methoxyethanone
CID 166854239
butyl 3-amino-2-[[4-(3-hydroxyphenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate;ethane
CID 163370217
[(2R,3S)-3-amino-2-[[4-(2,3-difluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]-cyclopropylmethanone
CID 166854133
methyl (2R)-3-amino-2-[[4-(2,3,5-trifluorophenyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
CID 166854002

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone (CID 166854235) is 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(N)C1COC1CCC(F)(c2cccc(F)c2)CC1.
What is the InChIKey of 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
The InChIKey is JVAWFLWUWJMRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O2/c1-14(25)24-11-3-6-18(23)19(24)13-26-17-7-9-20(22,10-8-17)15-4-2-5-16(21)12-15/h2,4-5,12,17-19H,3,6-11,13,23H2,1H3.
What are the key properties of 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone?
1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone has a molecular weight of 366.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-2-[[4-fluoro-4-(3-fluorophenyl)cyclohexyl]oxymethyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 166854235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).