1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid

C17H23ClN2O5 — CID 2944629

IUPAC1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid
SMILESC=CCc1cccc(Cl)c1OCCN1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C15H21ClN2O.C2H2O4/c1-2-4-13-5-3-6-14(16)15(13)19-12-11-18-9-7-17-8-10-18;3-1(4)2(5)6/h2-3,5-6,17H,1,4,7-12H2;(H,3,4)(H,5,6)
InChIKeyMCQPXAGIWKXXIT-UHFFFAOYSA-N
MW370.83 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid

1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid (PubChem CID 2944629) has the molecular formula C17H23ClN2O5 and a molecular weight of 370.83 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid.

Molecular Properties

Compound Name1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid
PubChem CID2944629
Molecular FormulaC17H23ClN2O5
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC Name1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid
SMILESC=CCc1cccc(Cl)c1OCCN1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C15H21ClN2O.C2H2O4/c1-2-4-13-5-3-6-14(16)15(13)19-12-11-18-9-7-17-8-10-18;3-1(4)2(5)6/h2-3,5-6,17H,1,4,7-12H2;(H,3,4)(H,5,6)
InChIKeyMCQPXAGIWKXXIT-UHFFFAOYSA-N
XLogP1.51
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloro-6-prop-2-enylphenoxy)-N-(2-morpholin-4-ylethyl)propan-1-amine;oxalic acid
CID 2977284
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
CID 146681529
1-methyl-4-[3-(2-methyl-6-prop-2-enylphenoxy)propyl]piperazine;oxalic acid
CID 16614206
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
CID 2993147
1-[2-(4-chloro-2-prop-2-enylphenoxy)ethyl]-4-methylpiperazine;oxalic acid
CID 2924081
1-[2-(3-ethoxyphenoxy)ethyl]piperazine;oxalic acid
CID 2944385
1-[2-(4-methyl-2-prop-2-enylphenoxy)ethyl]pyrrolidine;oxalic acid
CID 2924381
oxalic acid;1-[4-(4-phenylphenoxy)butyl]piperazine
CID 2943786
1-[(3-chloro-2-ethoxyphenyl)methyl]piperazine
CID 120833653
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid?
The IUPAC name of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid (CID 2944629) is 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid.
What is the SMILES notation for 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid?
The canonical SMILES for 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid is C=CCc1cccc(Cl)c1OCCN1CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid?
The InChIKey is MCQPXAGIWKXXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.C2H2O4/c1-2-4-13-5-3-6-14(16)15(13)19-12-11-18-9-7-17-8-10-18;3-1(4)2(5)6/h2-3,5-6,17H,1,4,7-12H2;(H,3,4)(H,5,6).
What are the key properties of 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid?
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid has a molecular weight of 370.83 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]piperazine;oxalic acid is sourced from PubChem (CID 2944629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).