4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine

C18H32F3N3 — CID 126708550

IUPAC4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
SMILESCN1CC(C2CCCCN2C)C(F)(F)C(C2CCC(F)CN2C)C1
InChIInChI=1S/C18H32F3N3/c1-22-11-14(16-6-4-5-9-23(16)2)18(20,21)15(12-22)17-8-7-13(19)10-24(17)3/h13-17H,4-12H2,1-3H3
InChIKeyBMRWEJVRMTYGLJ-UHFFFAOYSA-N
MW347.47 g/mol
LogP2.72
Rot. Bonds2

About 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine

4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine (PubChem CID 126708550) has the molecular formula C18H32F3N3 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
PubChem CID126708550
Molecular FormulaC18H32F3N3
Molecular Weight347.47 g/mol
Exact Mass347.25
IUPAC Name4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
SMILESCN1CC(C2CCCCN2C)C(F)(F)C(C2CCC(F)CN2C)C1
InChIInChI=1S/C18H32F3N3/c1-22-11-14(16-6-4-5-9-23(16)2)18(20,21)15(12-22)17-8-7-13(19)10-24(17)3/h13-17H,4-12H2,1-3H3
InChIKeyBMRWEJVRMTYGLJ-UHFFFAOYSA-N
XLogP2.72
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine?
The IUPAC name of 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine (CID 126708550) is 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine.
What is the SMILES notation for 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine?
The canonical SMILES for 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine is CN1CC(C2CCCCN2C)C(F)(F)C(C2CCC(F)CN2C)C1.
What is the InChIKey of 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine?
The InChIKey is BMRWEJVRMTYGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3/c1-22-11-14(16-6-4-5-9-23(16)2)18(20,21)15(12-22)17-8-7-13(19)10-24(17)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine?
4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine has a molecular weight of 347.47 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine is sourced from PubChem (CID 126708550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).