4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine

C17H31F3N2 — CID 129226745

IUPAC4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
SMILESCCCN1CCC(F)(F)C(C2(F)CCC(C)N(CCC)C2)C1
InChIInChI=1S/C17H31F3N2/c1-4-9-21-11-8-17(19,20)15(12-21)16(18)7-6-14(3)22(13-16)10-5-2/h14-15H,4-13H2,1-3H3
InChIKeyWMZXMCQJDIVKIF-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.96
Rot. Bonds5

About 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine

4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine (PubChem CID 129226745) has the molecular formula C17H31F3N2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
PubChem CID129226745
Molecular FormulaC17H31F3N2
Molecular Weight320.44 g/mol
Exact Mass320.24
IUPAC Name4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine
SMILESCCCN1CCC(F)(F)C(C2(F)CCC(C)N(CCC)C2)C1
InChIInChI=1S/C17H31F3N2/c1-4-9-21-11-8-17(19,20)15(12-21)16(18)7-6-14(3)22(13-16)10-5-2/h14-15H,4-13H2,1-3H3
InChIKeyWMZXMCQJDIVKIF-UHFFFAOYSA-N
XLogP3.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine?
The IUPAC name of 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine (CID 129226745) is 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine.
What is the SMILES notation for 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine?
The canonical SMILES for 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine is CCCN1CCC(F)(F)C(C2(F)CCC(C)N(CCC)C2)C1.
What is the InChIKey of 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine?
The InChIKey is WMZXMCQJDIVKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3N2/c1-4-9-21-11-8-17(19,20)15(12-21)16(18)7-6-14(3)22(13-16)10-5-2/h14-15H,4-13H2,1-3H3.
What are the key properties of 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine?
4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine has a molecular weight of 320.44 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(3-fluoro-6-methyl-1-propylpiperidin-3-yl)-1-propylpiperidine is sourced from PubChem (CID 129226745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).