1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one

C15H28FNO — CID 71102056

IUPAC1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(F)(C(C)C(C)(C)C)CC1
InChIInChI=1S/C15H28FNO/c1-11(2)13(18)17-9-7-15(16,8-10-17)12(3)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyLUEZMCOGKHJQMW-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.66
Rot. Bonds2

About 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one

1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 71102056) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one
PubChem CID71102056
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(F)(C(C)C(C)(C)C)CC1
InChIInChI=1S/C15H28FNO/c1-11(2)13(18)17-9-7-15(16,8-10-17)12(3)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyLUEZMCOGKHJQMW-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one (CID 71102056) is 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(F)(C(C)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is LUEZMCOGKHJQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-11(2)13(18)17-9-7-15(16,8-10-17)12(3)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one?
1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 257.39 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71102056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).