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

C14H26FNO — CID 71102055

IUPAC1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(F)(C(C)C(C)(C)C)CC1
InChIInChI=1S/C14H26FNO/c1-6-12(17)16-9-7-14(15,8-10-16)11(2)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyIUPJGTMMWOEWCA-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.41
Rot. Bonds2

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

1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one (PubChem CID 71102055) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one
PubChem CID71102055
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(F)(C(C)C(C)(C)C)CC1
InChIInChI=1S/C14H26FNO/c1-6-12(17)16-9-7-14(15,8-10-16)11(2)13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyIUPJGTMMWOEWCA-UHFFFAOYSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.41
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]propan-1-one?
The IUPAC name of 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one (CID 71102055) is 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is IUPJGTMMWOEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-6-12(17)16-9-7-14(15,8-10-16)11(2)13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one?
1-[4-(3,3-dimethylbutan-2-yl)-4-fluoropiperidin-1-yl]propan-1-one has a molecular weight of 243.37 g/mol, XLogP of 3.41, 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]propan-1-one is sourced from PubChem (CID 71102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).