4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol

C18H22N2O — CID 791169

IUPAC4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol
SMILESCc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H22N2O/c1-15-4-2-3-5-18(15)20-12-10-19(11-13-20)14-16-6-8-17(21)9-7-16/h2-9,21H,10-14H2,1H3
InChIKeyQMIUROLZZGKCRP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds3

About 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol

4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol (PubChem CID 791169) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol
PubChem CID791169
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol
SMILESCc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1
InChIInChI=1S/C18H22N2O/c1-15-4-2-3-5-18(15)20-12-10-19(11-13-20)14-16-6-8-17(21)9-7-16/h2-9,21H,10-14H2,1H3
InChIKeyQMIUROLZZGKCRP-UHFFFAOYSA-N
XLogP3.02
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[Bis[4-(dimethylamino)phenyl]methyl]phenol
CID 221110
3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
2-[1-(4-Phenyl-piperazin-1-ylimino)-ethyl]-phenol
CID 135492287
3-Dimethylamino-4-methylphenol
CID 8389
(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 44588498
US10934303, Example 20
CID 137348774
7-((2-(4-Phenyl-piperazin-1-yl)-ethyl)-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10178704
(+)-7-[(4-(4-Phenylpiperazin-1-yl)butyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22261332
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine
CID 44334052
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
Phenol, p-(dibenzylamino)-
CID 81978
2-(4-Benzhydrylpiperazin-1-yl)phenol
CID 2406292

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol (CID 791169) is 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol is Cc1ccccc1N1CCN(Cc2ccc(O)cc2)CC1.
What is the InChIKey of 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
The InChIKey is QMIUROLZZGKCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-4-2-3-5-18(15)20-12-10-19(11-13-20)14-16-6-8-17(21)9-7-16/h2-9,21H,10-14H2,1H3.
What are the key properties of 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol?
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol has a molecular weight of 282.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 791169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).