1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one

C17H24FNO — CID 58514207

IUPAC1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
SMILESCCCC(CN1CCCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-2-6-15(13-19-11-4-3-5-12-19)17(20)14-7-9-16(18)10-8-14/h7-10,15H,2-6,11-13H2,1H3
InChIKeyZERYISGDHJRGLI-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one

1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one (PubChem CID 58514207) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
PubChem CID58514207
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
SMILESCCCC(CN1CCCCC1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H24FNO/c1-2-6-15(13-19-11-4-3-5-12-19)17(20)14-7-9-16(18)10-8-14/h7-10,15H,2-6,11-13H2,1H3
InChIKeyZERYISGDHJRGLI-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dichlorophenyl)-2-(pyrrolidin-1-ylmethyl)pentan-1-one
CID 11566487
1,6-bis(4-fluorophenyl)-2,5-bis(morpholin-4-ylmethyl)hexane-1,6-dione
CID 56694067
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 3078330
1,6-diphenyl-2,5-bis(piperidin-1-ylmethyl)hexane-1,6-dione;dihydrochloride
CID 3078025
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione;dihydrochloride
CID 3078329
(2S,4S)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione
CID 97292404
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
CID 3064490
4-(4-chlorophenyl)-4-oxo-3-(piperidin-1-ylmethyl)butanoic acid
CID 13082308
methyl 4-oxo-4-phenyl-3-(piperidin-1-ylmethyl)butanoate
CID 22467076
2-(iodomethyl)-3-pyrrolidin-1-yl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 70417168
(2R)-1-(4-fluorophenyl)-2-pyrrolidin-1-yloctan-1-one
CID 125181338

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one (CID 58514207) is 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one is CCCC(CN1CCCCC1)C(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one?
The InChIKey is ZERYISGDHJRGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-2-6-15(13-19-11-4-3-5-12-19)17(20)14-7-9-16(18)10-8-14/h7-10,15H,2-6,11-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one?
1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one has a molecular weight of 277.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one is sourced from PubChem (CID 58514207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).