2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride

C14H19ClN2O — CID 89249533

IUPAC2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride
SMILESC=C(Cc1ccccc1)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-12(11-13-5-3-2-4-6-13)14(17)16-9-7-15-8-10-16;/h2-6,15H,1,7-11H2;1H
InChIKeyOZNUFHUTQKKGIY-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.64
Rot. Bonds3

About 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride

2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride (PubChem CID 89249533) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride
PubChem CID89249533
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride
SMILESC=C(Cc1ccccc1)C(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H18N2O.ClH/c1-12(11-13-5-3-2-4-6-13)14(17)16-9-7-15-8-10-16;/h2-6,15H,1,7-11H2;1H
InChIKeyOZNUFHUTQKKGIY-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
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2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
1-phenyl-4-piperazin-1-ylbut-3-en-2-one
CID 71071911
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
2-(1,4-diazepan-1-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 43145090
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
(Z)-3-(N-benzylanilino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819996
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride?
The IUPAC name of 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride (CID 89249533) is 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride?
The canonical SMILES for 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride is C=C(Cc1ccccc1)C(=O)N1CCNCC1.Cl.
What is the InChIKey of 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride?
The InChIKey is OZNUFHUTQKKGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c1-12(11-13-5-3-2-4-6-13)14(17)16-9-7-15-8-10-16;/h2-6,15H,1,7-11H2;1H.
What are the key properties of 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride?
2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-piperazin-1-ylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 89249533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).