4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine

C18H20FNO — CID 45483528

IUPAC4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine
SMILESFc1cccc(OCc2ccccc2C2CCNCC2)c1
InChIInChI=1S/C18H20FNO/c19-16-5-3-6-17(12-16)21-13-15-4-1-2-7-18(15)14-8-10-20-11-9-14/h1-7,12,14,20H,8-11,13H2
InChIKeyLGSKMJOUAMVJKK-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.87
Rot. Bonds4

About 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine

4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine (PubChem CID 45483528) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine.

Molecular Properties

Compound Name4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine
PubChem CID45483528
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine
SMILESFc1cccc(OCc2ccccc2C2CCNCC2)c1
InChIInChI=1S/C18H20FNO/c19-16-5-3-6-17(12-16)21-13-15-4-1-2-7-18(15)14-8-10-20-11-9-14/h1-7,12,14,20H,8-11,13H2
InChIKeyLGSKMJOUAMVJKK-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine?
The IUPAC name of 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine (CID 45483528) is 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine.
What is the SMILES notation for 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine?
The canonical SMILES for 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine is Fc1cccc(OCc2ccccc2C2CCNCC2)c1.
What is the InChIKey of 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine?
The InChIKey is LGSKMJOUAMVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-16-5-3-6-17(12-16)21-13-15-4-1-2-7-18(15)14-8-10-20-11-9-14/h1-7,12,14,20H,8-11,13H2.
What are the key properties of 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine?
4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine has a molecular weight of 285.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorophenoxy)methyl]phenyl]piperidine is sourced from PubChem (CID 45483528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).