1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine

C25H33FN2O — CID 175216623

IUPAC1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H33FN2O/c1-25(29-20-22-7-3-2-4-8-22)15-5-6-16-28(25)19-21-13-17-27(18-14-21)24-11-9-23(26)10-12-24/h2-4,7-12,21H,5-6,13-20H2,1H3
InChIKeyXHEIUQYUEUNXGX-UHFFFAOYSA-N
MW396.55 g/mol
LogP5.46
Rot. Bonds6

About 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine

1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine (PubChem CID 175216623) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
PubChem CID175216623
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC Name1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine
SMILESCC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H33FN2O/c1-25(29-20-22-7-3-2-4-8-22)15-5-6-16-28(25)19-21-13-17-27(18-14-21)24-11-9-23(26)10-12-24/h2-4,7-12,21H,5-6,13-20H2,1H3
InChIKeyXHEIUQYUEUNXGX-UHFFFAOYSA-N
XLogP5.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine 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 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
The IUPAC name of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine (CID 175216623) is 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
The canonical SMILES for 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine is CC1(OCc2ccccc2)CCCCN1CC1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
The InChIKey is XHEIUQYUEUNXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-25(29-20-22-7-3-2-4-8-22)15-5-6-16-28(25)19-21-13-17-27(18-14-21)24-11-9-23(26)10-12-24/h2-4,7-12,21H,5-6,13-20H2,1H3.
What are the key properties of 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine?
1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine has a molecular weight of 396.55 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)piperidin-4-yl]methyl]-2-methyl-2-phenylmethoxypiperidine is sourced from PubChem (CID 175216623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).