2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol

C21H28N2O4 — CID 1148290

IUPAC2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c1
InChIInChI=1S/C21H28N2O4/c1-25-18-6-4-5-16(11-18)14-22-7-9-23(10-8-22)15-17-12-19(26-2)21(24)20(13-17)27-3/h4-6,11-13,24H,7-10,14-15H2,1-3H3
InChIKeyKMMIKCKBTJCBSL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.74
Rot. Bonds7

About 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol

2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol (PubChem CID 1148290) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
PubChem CID1148290
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol
SMILESCOc1cccc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c1
InChIInChI=1S/C21H28N2O4/c1-25-18-6-4-5-16(11-18)14-22-7-9-23(10-8-22)15-17-12-19(26-2)21(24)20(13-17)27-3/h4-6,11-13,24H,7-10,14-15H2,1-3H3
InChIKeyKMMIKCKBTJCBSL-UHFFFAOYSA-N
XLogP2.74
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol (CID 1148290) is 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol is COc1cccc(CN2CCN(Cc3cc(OC)c(O)c(OC)c3)CC2)c1.
What is the InChIKey of 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
The InChIKey is KMMIKCKBTJCBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-25-18-6-4-5-16(11-18)14-22-7-9-23(10-8-22)15-17-12-19(26-2)21(24)20(13-17)27-3/h4-6,11-13,24H,7-10,14-15H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol?
2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol has a molecular weight of 372.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 1148290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).