1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone

C14H18FNO — CID 2422526

IUPAC1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO/c1-11-6-4-5-9-16(11)10-14(17)12-7-2-3-8-13(12)15/h2-3,7-8,11H,4-6,9-10H2,1H3/t11-/m1/s1
InChIKeyLBWBSVPWFFGJEC-LLVKDONJSA-N
MW235.30 g/mol
LogP2.88
Rot. Bonds3

About 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone

1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 2422526) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID2422526
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1CC(=O)c1ccccc1F
InChIInChI=1S/C14H18FNO/c1-11-6-4-5-9-16(11)10-14(17)12-7-2-3-8-13(12)15/h2-3,7-8,11H,4-6,9-10H2,1H3/t11-/m1/s1
InChIKeyLBWBSVPWFFGJEC-LLVKDONJSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 5149362
N-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583353
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
1-(2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanone
CID 63623184
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
1-(4-hydroxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228420
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
1-(3-methylphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43794417
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
1-(2-fluorophenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 62025530

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 2422526) is 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCCN1CC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is LBWBSVPWFFGJEC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FNO/c1-11-6-4-5-9-16(11)10-14(17)12-7-2-3-8-13(12)15/h2-3,7-8,11H,4-6,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone?
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 235.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 2422526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).