1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one

C16H22FNO — CID 15387

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IUPAC1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
InChIKeyDKMFBWQBDIGMHM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.52
Rot. Bonds5

About 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one

1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one (PubChem CID 15387) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
PubChem CID15387
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one
SMILESCC1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3
InChIKeyDKMFBWQBDIGMHM-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tolperisone
CID 5511
Diethylpropion
CID 7029
Diethylpropion Hydrochloride
CID 91442
Eperisone
CID 3236
Tolperisone Hydrochloride
CID 92965
Eperisone Hydrochloride
CID 123698
1-Propanone, 3-(dimethylamino)-1-phenyl-, hydrochloride (1:1)
CID 92844
Lenperone
CID 32593
Melperone hydrochloride
CID 9926325
DuP 734
CID 121967
Lanperisone
CID 198707
3-Piperidinopropiophenone hydrochloride
CID 70171

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one (CID 15387) is 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one is CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one?
The InChIKey is DKMFBWQBDIGMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-13-8-11-18(12-9-13)10-2-3-16(19)14-4-6-15(17)7-5-14/h4-7,13H,2-3,8-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one?
1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one has a molecular weight of 263.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-methylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 15387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).