[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

C14H18FN3O2 — CID 107015953

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H18FN3O2/c15-11-2-1-3-12(19)13(11)14(20)18-6-4-17(5-7-18)10-8-16-9-10/h1-3,10,16,19H,4-9H2
InChIKeyOWJPCTSELKZYOY-UHFFFAOYSA-N
MW279.31 g/mol
LogP0.26
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (PubChem CID 107015953) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
PubChem CID107015953
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1F)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H18FN3O2/c15-11-2-1-3-12(19)13(11)14(20)18-6-4-17(5-7-18)10-8-16-9-10/h1-3,10,16,19H,4-9H2
InChIKeyOWJPCTSELKZYOY-UHFFFAOYSA-N
XLogP0.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107690345
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-fluoro-6-hydroxyphenyl)methanone
CID 104917539
(2,6-dimethylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015881
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36510130
[4-(azetidin-3-yl)piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 66203300
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
(4-ethyl-3-methylpiperazin-1-yl)-(2-fluoro-6-hydroxyphenyl)methanone
CID 104918307
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
2-[4-(2-fluoro-6-hydroxybenzoyl)piperazin-1-yl]ethanethioamide
CID 107014923
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 104916616
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone (CID 107015953) is [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is O=C(c1c(O)cccc1F)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
The InChIKey is OWJPCTSELKZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-11-2-1-3-12(19)13(11)14(20)18-6-4-17(5-7-18)10-8-16-9-10/h1-3,10,16,19H,4-9H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone has a molecular weight of 279.31 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 107015953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).