3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine

C18H35FN2O2 — CID 174351179

IUPAC3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCOCCN1CCC(CN2CCC(OC(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C18H35FN2O2/c1-18(2,3)23-17-7-10-21(14-16(17)19)13-15-5-8-20(9-6-15)11-12-22-4/h15-17H,5-14H2,1-4H3
InChIKeyJBQNNUJQOFOWMH-UHFFFAOYSA-N
MW330.49 g/mol
LogP2.57
Rot. Bonds6

About 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine

3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine (PubChem CID 174351179) has the molecular formula C18H35FN2O2 and a molecular weight of 330.49 g/mol. Its IUPAC name is 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine.

Molecular Properties

Compound Name3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine
PubChem CID174351179
Molecular FormulaC18H35FN2O2
Molecular Weight330.49 g/mol
Exact Mass330.27
IUPAC Name3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine
SMILESCOCCN1CCC(CN2CCC(OC(C)(C)C)C(F)C2)CC1
InChIInChI=1S/C18H35FN2O2/c1-18(2,3)23-17-7-10-21(14-16(17)19)13-15-5-8-20(9-6-15)11-12-22-4/h15-17H,5-14H2,1-4H3
InChIKeyJBQNNUJQOFOWMH-UHFFFAOYSA-N
XLogP2.57
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine?
The IUPAC name of 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine (CID 174351179) is 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine.
What is the SMILES notation for 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine?
The canonical SMILES for 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine is COCCN1CCC(CN2CCC(OC(C)(C)C)C(F)C2)CC1.
What is the InChIKey of 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine?
The InChIKey is JBQNNUJQOFOWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O2/c1-18(2,3)23-17-7-10-21(14-16(17)19)13-15-5-8-20(9-6-15)11-12-22-4/h15-17H,5-14H2,1-4H3.
What are the key properties of 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine?
3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine has a molecular weight of 330.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-[(2-methylpropan-2-yl)oxy]piperidine is sourced from PubChem (CID 174351179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).