1-[(3R)-3-benzylpiperazin-1-yl]ethanone

C13H18N2O — CID 94985339

IUPAC1-[(3R)-3-benzylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN[C@H](Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-11(16)15-8-7-14-13(10-15)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-/m1/s1
InChIKeyZHUDHDBBTAHJBN-CYBMUJFWSA-N
MW218.30 g/mol
LogP1.05
Rot. Bonds2

About 1-[(3R)-3-benzylpiperazin-1-yl]ethanone

1-[(3R)-3-benzylpiperazin-1-yl]ethanone (PubChem CID 94985339) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[(3R)-3-benzylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-benzylpiperazin-1-yl]ethanone
PubChem CID94985339
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[(3R)-3-benzylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN[C@H](Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-11(16)15-8-7-14-13(10-15)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-/m1/s1
InChIKeyZHUDHDBBTAHJBN-CYBMUJFWSA-N
XLogP1.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
(3-benzylpiperazin-1-yl)-(1H-imidazo[4,5-b]pyridin-7-yl)methanone
CID 167894941
3-benzyl-1-[(E)-but-2-enyl]piperazine
CID 107897866
(3R)-3-benzyl-1-methylsulfonylpiperazine;2,2,2-trifluoroacetic acid
CID 175858517
(3R)-3-[(4-sulfamoylphenyl)methyl]piperazine-1-carboxylic acid
CID 68664807

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-benzylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-benzylpiperazin-1-yl]ethanone (CID 94985339) is 1-[(3R)-3-benzylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-benzylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-benzylpiperazin-1-yl]ethanone is CC(=O)N1CCN[C@H](Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-benzylpiperazin-1-yl]ethanone?
The InChIKey is ZHUDHDBBTAHJBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)15-8-7-14-13(10-15)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-benzylpiperazin-1-yl]ethanone?
1-[(3R)-3-benzylpiperazin-1-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-benzylpiperazin-1-yl]ethanone is sourced from PubChem (CID 94985339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).