ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

C19H37FN2O2 — CID 156707654

IUPACethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC.CCOC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F
InChIInChI=1S/C17H31FN2O2.C2H6/c1-4-22-16-7-8-19(12-15(16)18)11-14-5-9-20(10-6-14)17(21)13(2)3;1-2/h13-16H,4-12H2,1-3H3;1-2H3
InChIKeyLCJBFMKJVHFFSC-UHFFFAOYSA-N
MW344.52 g/mol
LogP3.36
Rot. Bonds5

About ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one

ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 156707654) has the molecular formula C19H37FN2O2 and a molecular weight of 344.52 g/mol. Its IUPAC name is ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID156707654
Molecular FormulaC19H37FN2O2
Molecular Weight344.52 g/mol
Exact Mass344.28
IUPAC Nameethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC.CCOC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F
InChIInChI=1S/C17H31FN2O2.C2H6/c1-4-22-16-7-8-19(12-15(16)18)11-14-5-9-20(10-6-14)17(21)13(2)3;1-2/h13-16H,4-12H2,1-3H3;1-2H3
InChIKeyLCJBFMKJVHFFSC-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

1-[4-[2-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 165372730
1-[4-[3-fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
2-methyl-1-[4-[(4-propylpiperidin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 166113429
[(3R,4S)-3-fluoro-1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl] acetate
CID 168903053
1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 165372738
2-methyl-1-[4-[[4-(propan-2-yloxymethyl)piperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 165372802
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42562155
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
2-methyl-1-[4-[(2-methyl-4-propylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 177355504
tert-butyl 4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]piperidine-1-carboxylate
CID 110019957
1-[4-[2-(3-fluoro-4-methoxypiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 156707378
1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 121200732

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 156707654) is ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is CC.CCOC1CCN(CC2CCN(C(=O)C(C)C)CC2)CC1F.
What is the InChIKey of ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LCJBFMKJVHFFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2O2.C2H6/c1-4-22-16-7-8-19(12-15(16)18)11-14-5-9-20(10-6-14)17(21)13(2)3;1-2/h13-16H,4-12H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one?
ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 344.52 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(4-ethoxy-3-fluoropiperidin-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 156707654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).