2-(3-fluoropiperidin-1-yl)cyclohexan-1-one

C11H18FNO — CID 164659303

IUPAC2-(3-fluoropiperidin-1-yl)cyclohexan-1-one
SMILESO=C1CCCCC1N1CCCC(F)C1
InChIInChI=1S/C11H18FNO/c12-9-4-3-7-13(8-9)10-5-1-2-6-11(10)14/h9-10H,1-8H2
InChIKeyMRWFJQYVLKHCBE-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.93
Rot. Bonds1

About 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one

2-(3-fluoropiperidin-1-yl)cyclohexan-1-one (PubChem CID 164659303) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)cyclohexan-1-one
PubChem CID164659303
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name2-(3-fluoropiperidin-1-yl)cyclohexan-1-one
SMILESO=C1CCCCC1N1CCCC(F)C1
InChIInChI=1S/C11H18FNO/c12-9-4-3-7-13(8-9)10-5-1-2-6-11(10)14/h9-10H,1-8H2
InChIKeyMRWFJQYVLKHCBE-UHFFFAOYSA-N
XLogP1.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one (CID 164659303) is 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one is O=C1CCCCC1N1CCCC(F)C1.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one?
The InChIKey is MRWFJQYVLKHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-9-4-3-7-13(8-9)10-5-1-2-6-11(10)14/h9-10H,1-8H2.
What are the key properties of 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one?
2-(3-fluoropiperidin-1-yl)cyclohexan-1-one has a molecular weight of 199.27 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 164659303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).