3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine

C22H28FNO — CID 19832107

IUPAC3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
SMILESCC(C)(C)c1ccc(OCC2CNCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO/c1-22(2,3)18-6-10-20(11-7-18)25-15-17-14-24-13-12-21(17)16-4-8-19(23)9-5-16/h4-11,17,21,24H,12-15H2,1-3H3
InChIKeySRTGVCPXKOLNJS-UHFFFAOYSA-N
MW341.47 g/mol
LogP4.90
Rot. Bonds4

About 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine

3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine (PubChem CID 19832107) has the molecular formula C22H28FNO and a molecular weight of 341.47 g/mol. Its IUPAC name is 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine.

Molecular Properties

Compound Name3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
PubChem CID19832107
Molecular FormulaC22H28FNO
Molecular Weight341.47 g/mol
Exact Mass341.22
IUPAC Name3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
SMILESCC(C)(C)c1ccc(OCC2CNCCC2c2ccc(F)cc2)cc1
InChIInChI=1S/C22H28FNO/c1-22(2,3)18-6-10-20(11-7-18)25-15-17-14-24-13-12-21(17)16-4-8-19(23)9-5-16/h4-11,17,21,24H,12-15H2,1-3H3
InChIKeySRTGVCPXKOLNJS-UHFFFAOYSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine?
The IUPAC name of 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine (CID 19832107) is 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine.
What is the SMILES notation for 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine?
The canonical SMILES for 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine is CC(C)(C)c1ccc(OCC2CNCCC2c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine?
The InChIKey is SRTGVCPXKOLNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO/c1-22(2,3)18-6-10-20(11-7-18)25-15-17-14-24-13-12-21(17)16-4-8-19(23)9-5-16/h4-11,17,21,24H,12-15H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine?
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine has a molecular weight of 341.47 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine is sourced from PubChem (CID 19832107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).