3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

C24H41F4N3 — CID 170414102

IUPAC3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC(F)CC(C2=C(F)C(C3CN(C(C)C)CC(F)(F)C3)CN(C(C)C)C2)C1
InChIInChI=1S/C24H41F4N3/c1-15(2)29-9-18(7-20(25)11-29)21-12-30(16(3)4)13-22(23(21)26)19-8-24(27,28)14-31(10-19)17(5)6/h15-20,22H,7-14H2,1-6H3
InChIKeyQQOWVOBZHRSZNY-UHFFFAOYSA-N
MW447.61 g/mol
LogP4.98
Rot. Bonds5

About 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine

3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 170414102) has the molecular formula C24H41F4N3 and a molecular weight of 447.61 g/mol. Its IUPAC name is 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID170414102
Molecular FormulaC24H41F4N3
Molecular Weight447.61 g/mol
Exact Mass447.32
IUPAC Name3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)N1CC(F)CC(C2=C(F)C(C3CN(C(C)C)CC(F)(F)C3)CN(C(C)C)C2)C1
InChIInChI=1S/C24H41F4N3/c1-15(2)29-9-18(7-20(25)11-29)21-12-30(16(3)4)13-22(23(21)26)19-8-24(27,28)14-31(10-19)17(5)6/h15-20,22H,7-14H2,1-6H3
InChIKeyQQOWVOBZHRSZNY-UHFFFAOYSA-N
XLogP4.98
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine (CID 170414102) is 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)N1CC(F)CC(C2=C(F)C(C3CN(C(C)C)CC(F)(F)C3)CN(C(C)C)C2)C1.
What is the InChIKey of 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is QQOWVOBZHRSZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41F4N3/c1-15(2)29-9-18(7-20(25)11-29)21-12-30(16(3)4)13-22(23(21)26)19-8-24(27,28)14-31(10-19)17(5)6/h15-20,22H,7-14H2,1-6H3.
What are the key properties of 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine?
3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 447.61 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)-4-fluoro-5-(5-fluoro-1-propan-2-ylpiperidin-3-yl)-1-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170414102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).