1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone

C17H20FNO3 — CID 56816043

IUPAC1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
SMILESO=C(C1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H20FNO3/c18-15-3-1-2-14(11-15)10-13-4-6-19(7-5-13)17(20)16-12-21-8-9-22-16/h1-3,10-11,16H,4-9,12H2
InChIKeyCIDVQYZFOQOMTL-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.25
Rot. Bonds2

About 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone

1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone (PubChem CID 56816043) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
PubChem CID56816043
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone
SMILESO=C(C1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1
InChIInChI=1S/C17H20FNO3/c18-15-3-1-2-14(11-15)10-13-4-6-19(7-5-13)17(20)16-12-21-8-9-22-16/h1-3,10-11,16H,4-9,12H2
InChIKeyCIDVQYZFOQOMTL-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylidenepiperidin-1-yl)-(oxolan-2-yl)methanone
CID 71977470
1-[(2R)-2-[4-[(3-fluorophenyl)methylidene]piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94518651
(5R)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95580339
4-[(3-fluorophenyl)methylidene]oxane
CID 165450645
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 55647596
[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590775
[(2R)-1,4-dioxan-2-yl]-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 95893815
(2R)-4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]morpholine-2-carboxamide
CID 94371381
1-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]-2-[(1-methylcyclohexa-2,4-dien-1-yl)methoxy]ethanone
CID 163630472
(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
CID 62799546
4-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]sulfonylbutanoic acid
CID 154741511
2-(3-fluorophenyl)-1-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124505549

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
The IUPAC name of 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone (CID 56816043) is 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
The canonical SMILES for 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone is O=C(C1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1.
What is the InChIKey of 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
The InChIKey is CIDVQYZFOQOMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c18-15-3-1-2-14(11-15)10-13-4-6-19(7-5-13)17(20)16-12-21-8-9-22-16/h1-3,10-11,16H,4-9,12H2.
What are the key properties of 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone?
1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone has a molecular weight of 305.35 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]methanone is sourced from PubChem (CID 56816043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).