4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one

C16H23FN2O2 — CID 119563084

IUPAC4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCNC1CCN(C(=O)CCCOc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c1-18-14-7-9-19(10-8-14)16(20)6-3-11-21-15-5-2-4-13(17)12-15/h2,4-5,12,14,18H,3,6-11H2,1H3
InChIKeyQKQXAFLRWARJRO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.20
Rot. Bonds6

About 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one

4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 119563084) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID119563084
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCNC1CCN(C(=O)CCCOc2cccc(F)c2)CC1
InChIInChI=1S/C16H23FN2O2/c1-18-14-7-9-19(10-8-14)16(20)6-3-11-21-15-5-2-4-13(17)12-15/h2,4-5,12,14,18H,3,6-11H2,1H3
InChIKeyQKQXAFLRWARJRO-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-(3-fluorophenoxy)butan-1-one;hydrochloride
CID 119663996
N-benzyl-1-[4-(3-fluorophenoxy)butanoyl]piperidine-4-carboxamide
CID 87039839
4-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119559826
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939893
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-(3-fluorophenoxy)butan-1-one
CID 55939281
(3R)-1-[4-(3-fluorophenoxy)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124692495
4-(3-bromophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119544947
4-(3-fluorophenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 55941073

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one (CID 119563084) is 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one is CNC1CCN(C(=O)CCCOc2cccc(F)c2)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is QKQXAFLRWARJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-18-14-7-9-19(10-8-14)16(20)6-3-11-21-15-5-2-4-13(17)12-15/h2,4-5,12,14,18H,3,6-11H2,1H3.
What are the key properties of 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one?
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119563084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).