[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone

C14H19N3O3 — CID 107690345

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H19N3O3/c18-11-2-1-3-12(19)13(11)14(20)17-6-4-16(5-7-17)10-8-15-9-10/h1-3,10,15,18-19H,4-9H2
InChIKeyVOAZDTRGBXDCIQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.17
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone (PubChem CID 107690345) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
PubChem CID107690345
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H19N3O3/c18-11-2-1-3-12(19)13(11)14(20)17-6-4-16(5-7-17)10-8-15-9-10/h1-3,10,15,18-19H,4-9H2
InChIKeyVOAZDTRGBXDCIQ-UHFFFAOYSA-N
XLogP-0.17
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953
[4-(azetidin-3-yl)piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 66203300
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336
(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107691006
[4-(azetidin-3-yl)piperazin-1-yl]-(3,5-dichlorophenyl)methanone
CID 66201748
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072
[4-(azetidin-3-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 66201560
[4-(azetidin-3-yl)piperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 66202716
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610444

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone (CID 107690345) is [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone is O=C(c1c(O)cccc1O)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone?
The InChIKey is VOAZDTRGBXDCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-11-2-1-3-12(19)13(11)14(20)17-6-4-16(5-7-17)10-8-15-9-10/h1-3,10,15,18-19H,4-9H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone has a molecular weight of 277.32 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 107690345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).