[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone

C15H21N3O2 — CID 66202136

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3CNC3)CC2)cc1O
InChIInChI=1S/C15H21N3O2/c1-11-2-3-12(8-14(11)19)15(20)18-6-4-17(5-7-18)13-9-16-10-13/h2-3,8,13,16,19H,4-7,9-10H2,1H3
InChIKeyRABMMGQTCGZLKB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.43
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone (PubChem CID 66202136) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
PubChem CID66202136
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(C3CNC3)CC2)cc1O
InChIInChI=1S/C15H21N3O2/c1-11-2-3-12(8-14(11)19)15(20)18-6-4-17(5-7-18)13-9-16-10-13/h2-3,8,13,16,19H,4-7,9-10H2,1H3
InChIKeyRABMMGQTCGZLKB-UHFFFAOYSA-N
XLogP0.43
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.43
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
[4-(azetidin-3-yl)piperazin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 66203300
[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-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459
[4-(chloromethyl)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 63397948
1-[(6R)-6-hydroxy-4-(3-hydroxy-4-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 97127858
[4-(azetidin-3-yl)piperazin-1-yl]-(4-bromo-2-hydroxyphenyl)methanone
CID 66202336
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
[4-(azetidin-3-yl)piperazin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 79693177
[4-(azetidin-3-yl)piperazin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107015953
[4-(azetidin-3-yl)piperazin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 66201170

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone (CID 66202136) is [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(C3CNC3)CC2)cc1O.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone?
The InChIKey is RABMMGQTCGZLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-2-3-12(8-14(11)19)15(20)18-6-4-17(5-7-18)13-9-16-10-13/h2-3,8,13,16,19H,4-7,9-10H2,1H3.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(3-hydroxy-4-methylphenyl)methanone has a molecular weight of 275.35 g/mol, XLogP of 0.43, 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]-(3-hydroxy-4-methylphenyl)methanone is sourced from PubChem (CID 66202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).