4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol

C18H22N2O — CID 818475

IUPAC4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILESCc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O/c1-15-7-8-18(21)16(13-15)14-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-8,13,21H,9-12,14H2,1H3
InChIKeyOBRXRRMMENPDHL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds3

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

4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol (PubChem CID 818475) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
PubChem CID818475
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILESCc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H22N2O/c1-15-7-8-18(21)16(13-15)14-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-8,13,21H,9-12,14H2,1H3
InChIKeyOBRXRRMMENPDHL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
6-[(4-phenylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-ol
CID 2092624
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
2-[[4-(1H-indol-2-ylmethyl)piperazin-1-yl]methyl]-4-methylphenol
CID 155953195
4-methyl-3-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 75532069
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
7-methoxy-1-[(4-phenylpiperazin-1-yl)methyl]naphthalen-2-ol
CID 2672003
1-[(2,5-dimethylphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 791479
4-[4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]benzoic acid
CID 74237702
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 791376
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 82979879

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol (CID 818475) is 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol is Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol?
The InChIKey is OBRXRRMMENPDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15-7-8-18(21)16(13-15)14-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 4-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol?
4-methyl-2-[(4-phenylpiperazin-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-methyl-2-[(4-phenylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 818475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).