1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone

C19H20FNO2 — CID 110396939

IUPAC1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNO2/c20-16-6-8-17(9-7-16)23-18-10-12-21(13-11-18)19(22)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyTYHUECXAWKTWQR-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.44
Rot. Bonds4

About 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone

1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone (PubChem CID 110396939) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
PubChem CID110396939
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C19H20FNO2/c20-16-6-8-17(9-7-16)23-18-10-12-21(13-11-18)19(22)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyTYHUECXAWKTWQR-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 139023328
2-(3-fluorophenyl)-1-[4-(4-methylphenoxy)piperidin-1-yl]ethanone
CID 50846863
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
3-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 119950821
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 110396913
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389
5-[2-[4-[4-[(3-fluorophenyl)methoxy]phenoxy]piperidin-1-yl]-2-oxoethyl]pyridine-3-carboxylic acid
CID 58347523
2-(4-ethoxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 110396830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone (CID 110396939) is 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone?
The InChIKey is TYHUECXAWKTWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-16-6-8-17(9-7-16)23-18-10-12-21(13-11-18)19(22)14-15-4-2-1-3-5-15/h1-9,18H,10-14H2.
What are the key properties of 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone?
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone has a molecular weight of 313.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110396939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).