2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone

C14H21N3O2 — CID 54904212

IUPAC2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ccc(O)cc1
InChIInChI=1S/C14H21N3O2/c1-16(10-12-2-4-13(18)5-3-12)11-14(19)17-8-6-15-7-9-17/h2-5,15,18H,6-11H2,1H3
InChIKeyPEWCCQGHQIARPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.26
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone

2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 54904212) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID54904212
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)Cc1ccc(O)cc1
InChIInChI=1S/C14H21N3O2/c1-16(10-12-2-4-13(18)5-3-12)11-14(19)17-8-6-15-7-9-17/h2-5,15,18H,6-11H2,1H3
InChIKeyPEWCCQGHQIARPY-UHFFFAOYSA-N
XLogP0.26
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
2-[(4-methoxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119929401
2-[(3,4-dimethylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 61018544
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915111
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
2-[(2-chloro-6-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 114321058
2-[(2-chloro-4-pyridinyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62470919
2-[methyl-[(1-propan-2-ylpyrazol-4-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 104869182
2-fluoro-5-[[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 107883048
2-[(3-chloro-4-nitrophenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 120835856

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone (CID 54904212) is 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)Cc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is PEWCCQGHQIARPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(10-12-2-4-13(18)5-3-12)11-14(19)17-8-6-15-7-9-17/h2-5,15,18H,6-11H2,1H3.
What are the key properties of 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone?
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 54904212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).