1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone

C15H22N2O2 — CID 23405849

IUPAC1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
SMILESCC1CN(C(=O)CO)C(C)CN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12-9-17(15(19)11-18)13(2)8-16(12)10-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeyHGLNVWZMSGQBRK-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.10
Rot. Bonds3

About 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone

1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone (PubChem CID 23405849) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
PubChem CID23405849
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone
SMILESCC1CN(C(=O)CO)C(C)CN1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-12-9-17(15(19)11-18)13(2)8-16(12)10-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3
InChIKeyHGLNVWZMSGQBRK-UHFFFAOYSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one
CID 21043697
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 59950679
azanide;1-(4-benzyl-2,5-dimethylpiperazin-1-yl)propan-1-one;carbanide;yttrium(3+)
CID 21043705
1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-phenylmethoxyphenoxy)ethanone
CID 54489131
1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 22264756
1-benzyl-2,4,5-trimethylpiperazine
CID 72621990
methyl (2R,5R)-2,4-dibenzyl-5-methylpiperazine-1-carboxylate
CID 68690521
2-[(2R,5S)-1-benzoyl-4-benzyl-5-methylpiperazin-2-yl]acetic acid
CID 176721270
1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-(2-sulfanylphenoxy)ethanone
CID 69298429
1-[2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]-3-phenylpropan-1-one
CID 54267041
2-(4-anilinophenoxy)-1-[(2S,5R)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 69299224
(2S,4S)-1-benzyl-4-chloro-2-methylpyrrolidine
CID 101162371

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone (CID 23405849) is 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone is CC1CN(C(=O)CO)C(C)CN1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone?
The InChIKey is HGLNVWZMSGQBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-9-17(15(19)11-18)13(2)8-16(12)10-14-6-4-3-5-7-14/h3-7,12-13,18H,8-11H2,1-2H3.
What are the key properties of 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone?
1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone has a molecular weight of 262.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-2,5-dimethylpiperazin-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 23405849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).