(4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C15H25F2N3O — CID 137444385

IUPAC(4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N3O/c1-11(2)19-9-12-3-4-13(10-19)20(12)14(21)18-7-5-15(16,17)6-8-18/h11-13H,3-10H2,1-2H3
InChIKeyXNLLDQAMGVYLIQ-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.39
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 137444385) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID137444385
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC Name(4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC(C)N1CC2CCC(C1)N2C(=O)N1CCC(F)(F)CC1
InChIInChI=1S/C15H25F2N3O/c1-11(2)19-9-12-3-4-13(10-19)20(12)14(21)18-7-5-15(16,17)6-8-18/h11-13H,3-10H2,1-2H3
InChIKeyXNLLDQAMGVYLIQ-UHFFFAOYSA-N
XLogP2.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 137444385) is (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is CC(C)N1CC2CCC(C1)N2C(=O)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is XNLLDQAMGVYLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-11(2)19-9-12-3-4-13(10-19)20(12)14(21)18-7-5-15(16,17)6-8-18/h11-13H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 301.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 137444385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).