1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide

C13H19BrN2O — CID 16682253

IUPAC1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide
SMILESBr.CN1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O.BrH/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H
InChIKeyDBGABMRVRLLWFQ-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.58
Rot. Bonds2

About 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide

1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide (PubChem CID 16682253) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide
PubChem CID16682253
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide
SMILESBr.CN1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C13H18N2O.BrH/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H
InChIKeyDBGABMRVRLLWFQ-UHFFFAOYSA-N
XLogP1.58
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Fenpiverinium Bromide
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Sameridine
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1-(4-Benzoyl-1-piperazinyl)-1-propanone
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Brl-52656
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AI3-37157
CID 760213
cyclo(L-leucyl-L-phenylalanyl)
CID 7076347
Cyclo(-Gly-Phe)
CID 7076549
AI3-37156
CID 897567
Glutarimide, N-ethyl-3-phenyl-
CID 3043002
Piperidine, N-acetyl-4-benzyl-
CID 299608
Methyl-AP-237
CID 6447699

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide (CID 16682253) is 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide is Br.CN1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide?
The InChIKey is DBGABMRVRLLWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.BrH/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12;/h2-6H,7-11H2,1H3;1H.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide?
1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide has a molecular weight of 299.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-phenylethanone;hydrobromide is sourced from PubChem (CID 16682253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).