[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone

C18H20N2O2 — CID 78777425

IUPAC[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H20N2O2/c1-14-4-2-3-5-17(14)18(22)20-12-10-19(11-13-20)15-6-8-16(21)9-7-15/h2-9,21H,10-13H2,1H3
InChIKeyIPHXKZQOXAUJTN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.66
Rot. Bonds2

About [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone

[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 78777425) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID78777425
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H20N2O2/c1-14-4-2-3-5-17(14)18(22)20-12-10-19(11-13-20)15-6-8-16(21)9-7-15/h2-9,21H,10-13H2,1H3
InChIKeyIPHXKZQOXAUJTN-UHFFFAOYSA-N
XLogP2.66
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
(2-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3113445
ethyl 4-[4-(2-methylbenzoyl)piperazin-1-yl]benzoate
CID 113079812
5-[4-(2-methylbenzoyl)piperazin-1-yl]-1H-pyridin-2-one
CID 110735922
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 78777425) is [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is IPHXKZQOXAUJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-14-4-2-3-5-17(14)18(22)20-12-10-19(11-13-20)15-6-8-16(21)9-7-15/h2-9,21H,10-13H2,1H3.
What are the key properties of [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 78777425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).