(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone

C19H22N2O2 — CID 87011127

IUPAC(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1C
InChIInChI=1S/C19H22N2O2/c1-14-8-9-17(18(22)15(14)2)19(23)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-9,22H,10-13H2,1-2H3
InChIKeyPRZNEWDHOJFHFQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.97
Rot. Bonds2

About (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone

(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 87011127) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID87011127
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1C
InChIInChI=1S/C19H22N2O2/c1-14-8-9-17(18(22)15(14)2)19(23)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-9,22H,10-13H2,1-2H3
InChIKeyPRZNEWDHOJFHFQ-UHFFFAOYSA-N
XLogP2.97
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410
(2-hydroxy-3,4-dimethylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833851
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-(2-chlorophenyl)methanone
CID 16644825
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 87011127) is (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone is Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1C.
What is the InChIKey of (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is PRZNEWDHOJFHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-8-9-17(18(22)15(14)2)19(23)21-12-10-20(11-13-21)16-6-4-3-5-7-16/h3-9,22H,10-13H2,1-2H3.
What are the key properties of (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone?
(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 87011127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).