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

C14H18BrN3O2 — CID 66202336

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(Br)cc1O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H18BrN3O2/c15-10-1-2-12(13(19)7-10)14(20)18-5-3-17(4-6-18)11-8-16-9-11/h1-2,7,11,16,19H,3-6,8-9H2
InChIKeyMHVMDEBRQBYBKF-UHFFFAOYSA-N
MW340.22 g/mol
LogP0.88
Rot. Bonds2

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

[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone (PubChem CID 66202336) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
PubChem CID66202336
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
SMILESO=C(c1ccc(Br)cc1O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H18BrN3O2/c15-10-1-2-12(13(19)7-10)14(20)18-5-3-17(4-6-18)11-8-16-9-11/h1-2,7,11,16,19H,3-6,8-9H2
InChIKeyMHVMDEBRQBYBKF-UHFFFAOYSA-N
XLogP0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
(4-bromo-2-hydroxyphenyl)-(4-bromopiperidin-1-yl)methanone
CID 80662371
[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107690345
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-1-methylpyrrol-2-yl)methanone
CID 66202146
1-(4-bromo-2-hydroxybenzoyl)piperidine-4-carboxamide
CID 47080579
(4-cyclopentylpiperazin-1-yl)-(2,4-dibromophenyl)methanone
CID 103882393
(4-bromo-2-hydroxyphenyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 62084706
(4-bromo-2-hydroxyphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 47436089
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-difluorophenyl)methanone
CID 66204072
(5-bromo-2-chlorophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 54912287
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 66202136
[4-(azetidin-3-yl)piperazin-1-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940039

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone (CID 66202336) is [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone is O=C(c1ccc(Br)cc1O)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone?
The InChIKey is MHVMDEBRQBYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-10-1-2-12(13(19)7-10)14(20)18-5-3-17(4-6-18)11-8-16-9-11/h1-2,7,11,16,19H,3-6,8-9H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone has a molecular weight of 340.22 g/mol, XLogP of 0.88, 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]-(4-bromo-2-hydroxyphenyl)methanone is sourced from PubChem (CID 66202336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).