2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol

C16H27N3O2 — CID 63058807

IUPAC2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
SMILESCOCCNCc1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C16H27N3O2/c1-21-13-6-17-14-15-4-2-3-5-16(15)19-9-7-18(8-10-19)11-12-20/h2-5,17,20H,6-14H2,1H3
InChIKeyAUMARRWXMUIUPO-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.54
Rot. Bonds8

About 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol

2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol (PubChem CID 63058807) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
PubChem CID63058807
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
SMILESCOCCNCc1ccccc1N1CCN(CCO)CC1
InChIInChI=1S/C16H27N3O2/c1-21-13-6-17-14-15-4-2-3-5-16(15)19-9-7-18(8-10-19)11-12-20/h2-5,17,20H,6-14H2,1H3
InChIKeyAUMARRWXMUIUPO-UHFFFAOYSA-N
XLogP0.54
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[2-(3,3,4-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63635351
N-[[2-(3,5-dimethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058738
N-[[2-(3-ethylpiperidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059153
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
N-[[2-(2,2-dimethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63060233
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]-2-methoxyethanamine
CID 63071914
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol (CID 63058807) is 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol is COCCNCc1ccccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol?
The InChIKey is AUMARRWXMUIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-21-13-6-17-14-15-4-2-3-5-16(15)19-9-7-18(8-10-19)11-12-20/h2-5,17,20H,6-14H2,1H3.
What are the key properties of 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol?
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol has a molecular weight of 293.41 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 63058807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).