2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol

C15H24N2O2 — CID 82980620

IUPAC2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(C)C(C)(C)C2)ccc1O
InChIInChI=1S/C15H24N2O2/c1-15(2)11-17(8-7-16(15)3)10-12-5-6-13(18)14(9-12)19-4/h5-6,9,18H,7-8,10-11H2,1-4H3
InChIKeyYCWJLJGUGXNRPE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.93
Rot. Bonds3

About 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol

2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol (PubChem CID 82980620) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
PubChem CID82980620
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
SMILESCOc1cc(CN2CCN(C)C(C)(C)C2)ccc1O
InChIInChI=1S/C15H24N2O2/c1-15(2)11-17(8-7-16(15)3)10-12-5-6-13(18)14(9-12)19-4/h5-6,9,18H,7-8,10-11H2,1-4H3
InChIKeyYCWJLJGUGXNRPE-UHFFFAOYSA-N
XLogP1.93
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964690
2-methoxy-5-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarbothioamide
CID 65343846
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 106790863
2-(trifluoromethyl)-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol
CID 82964689
1-[2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 72920608
[4-methoxy-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63610193
3-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65054045
4-[[(1R)-2,2-diethyl-1-oxo-1,4-thiazinan-4-yl]methyl]-2-methoxyphenol
CID 99842918
2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenol
CID 82974482
2-methoxy-4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenol
CID 82982082
[4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]methanamine
CID 63604707
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol (CID 82980620) is 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol is COc1cc(CN2CCN(C)C(C)(C)C2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
The InChIKey is YCWJLJGUGXNRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2)11-17(8-7-16(15)3)10-12-5-6-13(18)14(9-12)19-4/h5-6,9,18H,7-8,10-11H2,1-4H3.
What are the key properties of 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol?
2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 82980620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).