3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

C15H20FNO — CID 94133767

IUPAC3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1
InChIInChI=1S/C15H20FNO/c1-12-5-4-10-17(11-12)15(18)9-8-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1
InChIKeyXPPSKZXWBRJMIP-GFCCVEGCSA-N
MW249.33 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one

3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (PubChem CID 94133767) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
PubChem CID94133767
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
SMILESC[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1
InChIInChI=1S/C15H20FNO/c1-12-5-4-10-17(11-12)15(18)9-8-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1
InChIKeyXPPSKZXWBRJMIP-GFCCVEGCSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)-1-[3-(2-methylpropylsulfonyl)piperidin-1-yl]propan-1-one
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1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
1-ethyl-2-[(2-fluorophenyl)methyl]-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111266333
(6R)-1-acetyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124982435
N-(2-fluorophenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113126709
N-[2-(2-fluorophenyl)ethyl]-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149065
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42099274
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one (CID 94133767) is 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is C[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
The InChIKey is XPPSKZXWBRJMIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20FNO/c1-12-5-4-10-17(11-12)15(18)9-8-13-6-2-3-7-14(13)16/h2-3,6-7,12H,4-5,8-11H2,1H3/t12-/m1/s1.
What are the key properties of 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one?
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one has a molecular weight of 249.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 94133767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).