1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone

C15H23N3O — CID 82246230

IUPAC1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-17(2)12-15(19)18-9-8-16-14(11-18)10-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyYHFMDPSUAPAGIP-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.59
Rot. Bonds4

About 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone

1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone (PubChem CID 82246230) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
PubChem CID82246230
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-17(2)12-15(19)18-9-8-16-14(11-18)10-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3
InChIKeyYHFMDPSUAPAGIP-UHFFFAOYSA-N
XLogP0.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917
1-(5-benzyl-2-methylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82248267
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
methyl 2-[(3R)-3-benzylpiperazin-1-yl]benzoate
CID 45072865
methyl 2-[(3S)-3-benzylpiperazin-1-yl]benzoate
CID 45072871
(3R)-3-[(4-sulfamoylphenyl)methyl]piperazine-1-carboxylic acid
CID 68664807

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone (CID 82246230) is 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone?
The InChIKey is YHFMDPSUAPAGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)12-15(19)18-9-8-16-14(11-18)10-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3.
What are the key properties of 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone?
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone has a molecular weight of 261.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 82246230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).