2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol

C16H27N3O2 — CID 63896297

IUPAC2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCC2CN(C)CCN2C)c1O
InChIInChI=1S/C16H27N3O2/c1-4-21-15-7-5-6-13(16(15)20)10-17-11-14-12-18(2)8-9-19(14)3/h5-7,14,17,20H,4,8-12H2,1-3H3
InChIKeyFAGDUGHSUJFAEC-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds6

About 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol

2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol (PubChem CID 63896297) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
PubChem CID63896297
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol
SMILESCCOc1cccc(CNCC2CN(C)CCN2C)c1O
InChIInChI=1S/C16H27N3O2/c1-4-21-15-7-5-6-13(16(15)20)10-17-11-14-12-18(2)8-9-19(14)3/h5-7,14,17,20H,4,8-12H2,1-3H3
InChIKeyFAGDUGHSUJFAEC-UHFFFAOYSA-N
XLogP1.13
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-[(3-propoxyphenyl)methyl]methanamine
CID 63897239
3-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-2-fluorobenzonitrile
CID 107114601
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-5-methoxyphenol
CID 63896856
2-ethoxy-6-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657450
2,4-dichloro-6-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]phenol
CID 63899124
2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]-6-ethoxyphenol
CID 62734100
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
2-ethoxy-6-[(2-methylsulfanylethylamino)methyl]phenol
CID 62732395
2-[(3-aminoazetidin-1-yl)methyl]-6-ethoxyphenol
CID 65244962
2-(1,4-dimethylpiperazin-2-yl)-1-(2-ethoxyphenyl)ethanamine
CID 115415033
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
2-ethoxy-6-[(2-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 78916438

Frequently Asked Questions

What is the IUPAC name of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol?
The IUPAC name of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol (CID 63896297) is 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol.
What is the SMILES notation for 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol?
The canonical SMILES for 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol is CCOc1cccc(CNCC2CN(C)CCN2C)c1O.
What is the InChIKey of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol?
The InChIKey is FAGDUGHSUJFAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-21-15-7-5-6-13(16(15)20)10-17-11-14-12-18(2)8-9-19(14)3/h5-7,14,17,20H,4,8-12H2,1-3H3.
What are the key properties of 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol?
2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol has a molecular weight of 293.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-6-ethoxyphenol is sourced from PubChem (CID 63896297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).