1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride

C13H19ClN2O — CID 75366058

IUPAC1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCNC(Cc2ccccc2)C1.Cl
InChIInChI=1S/C13H18N2O.ClH/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;1H
InChIKeyPGZFBGFEDZIGKY-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.47
Rot. Bonds2

About 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride

1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride (PubChem CID 75366058) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
PubChem CID75366058
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCNC(Cc2ccccc2)C1.Cl
InChIInChI=1S/C13H18N2O.ClH/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;1H
InChIKeyPGZFBGFEDZIGKY-UHFFFAOYSA-N
XLogP1.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
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
benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
2-methylpropyl 3-benzylpiperazine-1-carboxylate
CID 82248433
methyl 2-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoate;hydrochloride
CID 74889914
4-[(3-benzylpiperazin-1-yl)methyl]benzoic acid
CID 53414066
3-[[(3S)-3-benzylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 146013000
(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

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride (CID 75366058) is 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride is CC(=O)N1CCNC(Cc2ccccc2)C1.Cl.
What is the InChIKey of 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride?
The InChIKey is PGZFBGFEDZIGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/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;1H.
What are the key properties of 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride?
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 75366058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).