[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone

C17H23FN2O2 — CID 119308981

IUPAC[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-14-3-5-15(6-4-14)22-16-7-10-20(11-8-16)17(21)13-2-1-9-19-12-13/h3-6,13,16,19H,1-2,7-12H2
InChIKeyVEHXHHFLRPMLJC-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.20
Rot. Bonds3

About [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone

[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119308981) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
PubChem CID119308981
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone
SMILESO=C(C1CCCNC1)N1CCC(Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O2/c18-14-3-5-15(6-4-14)22-16-7-10-20(11-8-16)17(21)13-2-1-9-19-12-13/h3-6,13,16,19H,1-2,7-12H2
InChIKeyVEHXHHFLRPMLJC-UHFFFAOYSA-N
XLogP2.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,3R)-3-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699739
(3-aminocyclopentyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758474
[(1R,2S)-2-aminocyclopentyl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone
CID 124699020
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
trans-(1R,2R)-2-[4-(4-fluorophenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119735
cyclopropyl-[4-[4-[(3R)-3-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenoxy]piperidin-1-yl]methanone
CID 42116086
[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 119313293
[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119888881
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119898008
cis-(1R,3S)-3-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065602
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone (CID 119308981) is [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone is O=C(C1CCCNC1)N1CCC(Oc2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is VEHXHHFLRPMLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-14-3-5-15(6-4-14)22-16-7-10-20(11-8-16)17(21)13-2-1-9-19-12-13/h3-6,13,16,19H,1-2,7-12H2.
What are the key properties of [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone?
[4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 306.38 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)piperidin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119308981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).