4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine

C16H22F2N2O — CID 22397449

IUPAC4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine
SMILESFc1ccc(OC2CCN(C3CCCNC3)CC2)cc1F
InChIInChI=1S/C16H22F2N2O/c17-15-4-3-14(10-16(15)18)21-13-5-8-20(9-6-13)12-2-1-7-19-11-12/h3-4,10,12-13,19H,1-2,5-9,11H2
InChIKeyHMPVZTCTHWGUFS-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.56
Rot. Bonds3

About 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine

4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine (PubChem CID 22397449) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine
PubChem CID22397449
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine
SMILESFc1ccc(OC2CCN(C3CCCNC3)CC2)cc1F
InChIInChI=1S/C16H22F2N2O/c17-15-4-3-14(10-16(15)18)21-13-5-8-20(9-6-13)12-2-1-7-19-11-12/h3-4,10,12-13,19H,1-2,5-9,11H2
InChIKeyHMPVZTCTHWGUFS-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine?
The IUPAC name of 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine (CID 22397449) is 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine?
The canonical SMILES for 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine is Fc1ccc(OC2CCN(C3CCCNC3)CC2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine?
The InChIKey is HMPVZTCTHWGUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-15-4-3-14(10-16(15)18)21-13-5-8-20(9-6-13)12-2-1-7-19-11-12/h3-4,10,12-13,19H,1-2,5-9,11H2.
What are the key properties of 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine?
4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine has a molecular weight of 296.36 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-1-piperidin-3-ylpiperidine is sourced from PubChem (CID 22397449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).