2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol

C19H24N2O3 — CID 791376

IUPAC2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(c3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C19H24N2O3/c1-23-17-12-15(13-18(24-2)19(17)22)14-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,12-13,22H,8-11,14H2,1-2H3
InChIKeyWTZREYVEPJUCHO-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.73
Rot. Bonds5

About 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol

2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol (PubChem CID 791376) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
PubChem CID791376
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(c3ccccc3)CC2)cc(OC)c1O
InChIInChI=1S/C19H24N2O3/c1-23-17-12-15(13-18(24-2)19(17)22)14-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,12-13,22H,8-11,14H2,1-2H3
InChIKeyWTZREYVEPJUCHO-UHFFFAOYSA-N
XLogP2.73
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-6-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol
CID 1067956
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1377032
2,3-dimethoxy-5-[(4-phenylpiperazin-1-yl)methyl]aniline
CID 82183738
4-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol
CID 1131780
4-(1,3-dihydroisoindol-2-ylmethyl)-2,6-dimethoxyphenol
CID 82958668
4-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-2,6-dimethoxyphenol;oxalic acid
CID 2901135
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-methoxy-6-nitrophenol
CID 1376971
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961031
2-methoxy-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-nitrophenol
CID 1377367
[2-methoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenyl] N-methylcarbamate;hydrochloride
CID 18403872
oxalic acid;1-phenyl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]piperazine
CID 90484045
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol (CID 791376) is 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol is COc1cc(CN2CCN(c3ccccc3)CC2)cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol?
The InChIKey is WTZREYVEPJUCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-23-17-12-15(13-18(24-2)19(17)22)14-20-8-10-21(11-9-20)16-6-4-3-5-7-16/h3-7,12-13,22H,8-11,14H2,1-2H3.
What are the key properties of 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol?
2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol has a molecular weight of 328.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(4-phenylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 791376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).