2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol

C14H22N2O2 — CID 82980053

IUPAC2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C14H22N2O2/c1-11-9-16(7-6-15(11)2)10-12-8-13(18-3)4-5-14(12)17/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyGZIUNBGEWFJWDM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds3

About 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol

2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol (PubChem CID 82980053) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
PubChem CID82980053
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CN2CCN(C)C(C)C2)c1
InChIInChI=1S/C14H22N2O2/c1-11-9-16(7-6-15(11)2)10-12-8-13(18-3)4-5-14(12)17/h4-5,8,11,17H,6-7,9-10H2,1-3H3
InChIKeyGZIUNBGEWFJWDM-UHFFFAOYSA-N
XLogP1.54
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(4-propylpiperazin-1-yl)methyl]phenol
CID 82975290
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
2-[(3-ethylpyrrolidin-1-yl)methyl]-4-methoxyphenol
CID 113351697
2-[(3,4-dimethylpiperazin-1-yl)methyl]-5-propoxyphenol
CID 82979285
4-methoxy-2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenol
CID 61205073
2-[[(3R)-3-(4-fluoroanilino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 25448122
4-methoxy-2-(1,4,7-triazonan-1-ylmethyl)phenol
CID 165144364
2-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-4-methoxyphenol
CID 1371281
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
2-[4-[(2-hydroxy-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061405
4-bromo-3-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82980054

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol (CID 82980053) is 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol is COc1ccc(O)c(CN2CCN(C)C(C)C2)c1.
What is the InChIKey of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol?
The InChIKey is GZIUNBGEWFJWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-9-16(7-6-15(11)2)10-12-8-13(18-3)4-5-14(12)17/h4-5,8,11,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol?
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol has a molecular weight of 250.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol is sourced from PubChem (CID 82980053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).