3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine

C19H22FNO — CID 11174064

IUPAC3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine
SMILESCc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1
InChIInChI=1S/C19H22FNO/c1-14-4-10-18(11-5-14)22-19(16-3-2-12-21-13-16)15-6-8-17(20)9-7-15/h4-11,16,19,21H,2-3,12-13H2,1H3
InChIKeyAPDAFEORIXULGY-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.25
Rot. Bonds4

About 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine

3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine (PubChem CID 11174064) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine
PubChem CID11174064
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine
SMILESCc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1
InChIInChI=1S/C19H22FNO/c1-14-4-10-18(11-5-14)22-19(16-3-2-12-21-13-16)15-6-8-17(20)9-7-15/h4-11,16,19,21H,2-3,12-13H2,1H3
InChIKeyAPDAFEORIXULGY-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine?
The IUPAC name of 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine (CID 11174064) is 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine.
What is the SMILES notation for 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine?
The canonical SMILES for 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine is Cc1ccc(OC(c2ccc(F)cc2)C2CCCNC2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine?
The InChIKey is APDAFEORIXULGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c1-14-4-10-18(11-5-14)22-19(16-3-2-12-21-13-16)15-6-8-17(20)9-7-15/h4-11,16,19,21H,2-3,12-13H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine?
3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine has a molecular weight of 299.39 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-(4-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 11174064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).