3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine

C25H32FNO — CID 19832072

IUPAC3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(c2ccc(F)cc2)C(COc2ccccc2C2CCCCC2)C1
InChIInChI=1S/C25H32FNO/c1-27-16-15-23(20-11-13-22(26)14-12-20)21(17-27)18-28-25-10-6-5-9-24(25)19-7-3-2-4-8-19/h5-6,9-14,19,21,23H,2-4,7-8,15-18H2,1H3
InChIKeyBKGYTJLHKDJRKT-UHFFFAOYSA-N
MW381.54 g/mol
LogP5.99
Rot. Bonds5

About 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine

3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine (PubChem CID 19832072) has the molecular formula C25H32FNO and a molecular weight of 381.54 g/mol. Its IUPAC name is 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine.

Molecular Properties

Compound Name3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine
PubChem CID19832072
Molecular FormulaC25H32FNO
Molecular Weight381.54 g/mol
Exact Mass381.25
IUPAC Name3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine
SMILESCN1CCC(c2ccc(F)cc2)C(COc2ccccc2C2CCCCC2)C1
InChIInChI=1S/C25H32FNO/c1-27-16-15-23(20-11-13-22(26)14-12-20)21(17-27)18-28-25-10-6-5-9-24(25)19-7-3-2-4-8-19/h5-6,9-14,19,21,23H,2-4,7-8,15-18H2,1H3
InChIKeyBKGYTJLHKDJRKT-UHFFFAOYSA-N
XLogP5.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine?
The IUPAC name of 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine (CID 19832072) is 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine.
What is the SMILES notation for 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine?
The canonical SMILES for 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine is CN1CCC(c2ccc(F)cc2)C(COc2ccccc2C2CCCCC2)C1.
What is the InChIKey of 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine?
The InChIKey is BKGYTJLHKDJRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FNO/c1-27-16-15-23(20-11-13-22(26)14-12-20)21(17-27)18-28-25-10-6-5-9-24(25)19-7-3-2-4-8-19/h5-6,9-14,19,21,23H,2-4,7-8,15-18H2,1H3.
What are the key properties of 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine?
3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine has a molecular weight of 381.54 g/mol, XLogP of 5.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclohexylphenoxy)methyl]-4-(4-fluorophenyl)-1-methylpiperidine is sourced from PubChem (CID 19832072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).