4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine

C18H19F2NO — CID 23562859

IUPAC4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine
SMILESFc1cc(F)cc(OC(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C18H19F2NO/c19-15-10-16(20)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-21-9-7-14/h1-5,10-12,14,18,21H,6-9H2
InChIKeyLMQZPTBDMFOAIM-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.08
Rot. Bonds4

About 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine

4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine (PubChem CID 23562859) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine.

Molecular Properties

Compound Name4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine
PubChem CID23562859
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine
SMILESFc1cc(F)cc(OC(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C18H19F2NO/c19-15-10-16(20)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-21-9-7-14/h1-5,10-12,14,18,21H,6-9H2
InChIKeyLMQZPTBDMFOAIM-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine 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 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine?
The IUPAC name of 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine (CID 23562859) is 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine.
What is the SMILES notation for 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine?
The canonical SMILES for 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine is Fc1cc(F)cc(OC(c2ccccc2)C2CCNCC2)c1.
What is the InChIKey of 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine?
The InChIKey is LMQZPTBDMFOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c19-15-10-16(20)12-17(11-15)22-18(13-4-2-1-3-5-13)14-6-8-21-9-7-14/h1-5,10-12,14,18,21H,6-9H2.
What are the key properties of 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine?
4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine has a molecular weight of 303.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenoxy)-phenylmethyl]piperidine is sourced from PubChem (CID 23562859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).