piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride

C14H19ClN2O2 — CID 119403725

IUPACpiperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
SMILESC=CCOc1ccccc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-2-11-18-13-6-4-3-5-12(13)14(17)16-9-7-15-8-10-16;/h2-6,15H,1,7-11H2;1H
InChIKeyIKFVTJNZLFCKHF-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.72
Rot. Bonds4

About piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride

piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride (PubChem CID 119403725) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
PubChem CID119403725
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Namepiperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride
SMILESC=CCOc1ccccc1C(=O)N1CCNCC1.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-2-11-18-13-6-4-3-5-12(13)14(17)16-9-7-15-8-10-16;/h2-6,15H,1,7-11H2;1H
InChIKeyIKFVTJNZLFCKHF-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxypiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 43417500
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-prop-2-enoxyphenyl)methanone
CID 120658652
[2-[(2-chlorophenyl)methoxy]phenyl]-piperazin-1-ylmethanone
CID 83475674
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
1,4-diazepan-1-yl-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119415302
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
[(1S,5R)-8-hydroxy-3-azabicyclo[3.2.1]octan-3-yl]-(2-prop-2-enoxyphenyl)methanone
CID 90649891
1,2-oxazolidin-2-yl-(2-prop-2-enoxyphenyl)methanone
CID 113375734
CID 70191473
CID 70191473
2-prop-2-enoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120813289
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
The IUPAC name of piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride (CID 119403725) is piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride.
What is the SMILES notation for piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
The canonical SMILES for piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride is C=CCOc1ccccc1C(=O)N1CCNCC1.Cl.
What is the InChIKey of piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
The InChIKey is IKFVTJNZLFCKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-2-11-18-13-6-4-3-5-12(13)14(17)16-9-7-15-8-10-16;/h2-6,15H,1,7-11H2;1H.
What are the key properties of piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride?
piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(2-prop-2-enoxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 119403725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).